SCHEMBL10220101

SCHEMBL10220101

Cc1ccn2nc(C(C)(C)C)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.38
ALDH1A1 P00352 6/20 0.38
PDE10A Q9Y233 2/20 0.37
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.36
GAA P10253 2/20 0.35
GFER P55789 1/20 0.35
DNMT1 P26358 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL16939253 0.81 KDM4E (0.44) KDM4EALDH1A1PDE10APOLBHPGD
SCHEMBL7920632 0.77 KDM4E (0.42) KDM4EALDH1A1PDE10APOLBHPGD
SCHEMBL25994217 0.77 KDM4E (0.36) KDM4EPOLBHPGDLMNANPSR1
SCHEMBL10220083 0.74 JAK2 (0.46) KDM4EALDH1A1PDE10APOLBHPGD
SCHEMBL20605163 0.74 KDM4E (0.41) KDM4EALDH1A1PDE10APOLBHPGD
SCHEMBL15774157 0.74 PIK3CG (0.47) KDM4EALDH1A1PDE10ASMN1; SMN2TP53
SCHEMBL30456487 0.74 KDM4E (0.40) KDM4EALDH1A1PDE10APOLBHPGD
SCHEMBL9615525 0.74 KDM4E (0.40) KDM4EALDH1A1PDE10APOLBHPGD
SCHEMBL10220058 0.73 AHR (0.41) KDM4EALDH1A1POLBHPGDLMNA
SCHEMBL10271751 0.71 PDE10A (0.40) KDM4EALDH1A1PDE10APOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193338-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-12 US disclosed
US-10005740-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-06-26 US disclosed
US-20180118696-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-05-03 US disclosed
US-9839639-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-12-12 US disclosed
US-9783507-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-10-10 US disclosed
US-20170189399-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-07-06 US disclosed
US-20170137388-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-05-18 US disclosed
US-9593110-B2 Neprilysin inhibitors Theravence Biopharma R&D IP, LLC (US) 2017-03-14 US disclosed
US-9585882-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-03-07 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-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 US disclosed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 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-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

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

For each of this compound's patents that has machine-readable text (11 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 KDM4E 3667/4885ALDH1A1 1082/4885PDE10A 1526/4885
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KDM4E 3667/4885ALDH1A1 1082/4885PDE10A 1526/4885
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KDM4E 3667/4885ALDH1A1 1082/4885PDE10A 1526/4885
US-20180193338-A1 NEPRILYSIN INHIBITORS MME, REN, ACE KDM4E 2396/4885ALDH1A1 2655/4885PDE10A 2628/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KDM4E 3667/4885ALDH1A1 1082/4885PDE10A 1526/4885
US-10005740-B2 Neprilysin inhibitors MME, REN, AGTR1 KDM4E 2253/4885ALDH1A1 2612/4885PDE10A 2514/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KDM4E 3667/4885ALDH1A1 1082/4885PDE10A 1526/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KDM4E 3667/4885ALDH1A1 1082/4885PDE10A 1526/4885
US-20180118696-A1 NEPRILYSIN INHIBITORS MME, REN, AGTR1 KDM4E 2253/4885ALDH1A1 2612/4885PDE10A 2514/4885
US-20170137388-A1 NEPRILYSIN INHIBITORS MME, REN, AGTR1 KDM4E 2253/4885ALDH1A1 2612/4885PDE10A 2514/4885
US-20170189399-A1 NEPRILYSIN INHIBITORS MME, REN, ACE KDM4E 2396/4885ALDH1A1 2655/4885PDE10A 2628/4885

“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.