SCHEMBL10220550

SCHEMBL10220550

CC(C)(C)c1cc(-c2cccnc2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.55
CYP2A6 P11509 6/20 0.53
CYP3A4 P08684 10/20 0.50
CYP1A2 P05177 8/20 0.50
CYP2C19 P33261 6/20 0.50
HSD17B10 Q99714 6/20 0.50
CLK4 Q9HAZ1 6/20 0.50
CYP2D6 P10635 5/20 0.50
TSHR P16473 2/20 0.50
ALOX15 P16050 2/20 0.50
ALDH1A1 P00352 4/20 0.48
CYP2E1 P05181 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2B6 P20813 2/20 0.47
KIF11 P52732 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2129121 0.81 ASIC3 (0.53) KMOCYP1A2CYP2C19HSD17B10TSHR
SCHEMBL28222550 0.80 ASIC3 (0.52) KMOCYP1A2CYP2C19HSD17B10TSHR
SCHEMBL28332495 0.80 ASIC3 (0.52) KMOCYP1A2CYP2C19HSD17B10TSHR
SCHEMBL10220555 0.80 ABL1 (0.44) KIF11KDM4ENPC1RAB9A
SCHEMBL29550010 0.80 ASIC3 (0.52) KMOCYP1A2CYP2C19HSD17B10TSHR
SCHEMBL27932758 0.80 ASIC3 (0.52) KMOCYP1A2CYP2C19HSD17B10TSHR
SCHEMBL6844957 0.78 CYP2A6 (0.62) KMOCYP2A6CYP3A4CYP1A2CYP2C19
SCHEMBL18905235 0.78 KMO (0.68) KMOCYP2A6CYP3A4CYP1A2CYP2C19
SCHEMBL10219977 0.77 CYP2A6 (0.57) CYP2A6CYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL10220715 0.77 KIF11 (0.54) CYP2A6CYP3A4CYP1A2CYP2C19CLK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-09-07 US disclosed
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-25 US disclosed
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-25 US disclosed
US-11701371-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-18 US disclosed
US-20230190927-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE CYANA THERAPEUTICS LLC 2023-06-22 US disclosed
US-20230190927-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE CYANA THERAPEUTICS LLC 2023-06-22 US disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL MYERS SQUIBB CO (US) 2014-08-07 US disclosed
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-20110263605-A1 Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2011-10-27 US disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KMO 932/4885CYP2A6 2357/4885CYP3A4 2815/4885
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KMO 932/4885CYP2A6 2357/4885CYP3A4 2815/4885
US-20110263605-A1 Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA2, CHRNA5 KMO 482/4885CYP2A6 979/4885CYP3A4 2061/4885
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KMO 932/4885CYP2A6 2357/4885CYP3A4 2815/4885
US-11701371-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 KMO 4376/4885CYP2A6 4319/4885CYP3A4 4454/4885
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KMO 932/4885CYP2A6 2357/4885CYP3A4 2815/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KMO 932/4885CYP2A6 2357/4885CYP3A4 2815/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KMO 932/4885CYP2A6 2357/4885CYP3A4 2815/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KMO 932/4885CYP2A6 2357/4885CYP3A4 2815/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KMO 932/4885CYP2A6 2357/4885CYP3A4 2815/4885
US-20230190927-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE ENPP1, STING1, ENPP3 KMO 4227/4885CYP2A6 4087/4885CYP3A4 4354/4885
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 KMO 4376/4885CYP2A6 4319/4885CYP3A4 4454/4885
US-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer ENPP1, ENPP3, ENTPD1 KMO 4376/4885CYP2A6 4319/4885CYP3A4 4454/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.