SCHEMBL2627828

SCHEMBL2627828

COc1cc(C(C)(C)C)ncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.40
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LOX P28300 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ GAA P10253 2/20 0.32

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
SCHEMBL31691911 0.83 CYP2C19 (0.38) CYP2C19ALOX5APFEN1KDM4ENPC1
SCHEMBL20122623 0.80 CYP2C19 (0.36) CYP2C19ALOX5APFEN1KDM4ENPC1
SCHEMBL278866 0.78 CA2 (0.37) KDM4ENPC1RAB9AHSD17B10SMN1; SMN2
SCHEMBL1478401 0.78 CYP2C19 (0.48) CYP2C19ALOX5APFEN1KDM4ENPC1
SCHEMBL10220478 0.78 ALDH1A1 (0.36) ALDH1A1
SCHEMBL10220189 0.76 — —
SCHEMBL25217067 0.76 CYP2C19 (0.35) CYP2C19KDM4ENPC1RAB9AALDH1A1
SCHEMBL31708045 0.76 CYP2C19 (0.35) CYP2C19KDM4ENPC1RAB9AALDH1A1
SCHEMBL6386093 0.76 CYP2C19 (0.47) CYP2C19ALOX5APFEN1KDM4ENPC1
SCHEMBL10220461 0.75 CA2 (0.36) KDM4EMAPTALDH1A1HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 — — US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 — — US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 — — US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 — — US disclosed
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-03-02 — — US disclosed
US-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-07-28 — — US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 — — US disclosed
US-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-01 — — US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 — — US disclosed
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2020-03-05 — — US disclosed
US-20120004221-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2012-01-05 — — US disclosed
US-20110263590-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2011-10-27 — — US disclosed
US-20110263590-A1 Antibacterial Compositions BIOTA EUROPE LIMITED (GB) 2011-10-27 — — 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-7977340-B2 Antibacterial compositions PROLYSIS LTD. (GB) 2011-07-12 — — 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-20100311766-A1 ANTIBACTERIAL COMPOSITIONS BIOTA EUROPE LTD (GB) 2010-12-09 — — 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-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 — — 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 (15 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 CYP2C19 2920/4885ALOX5AP 3927/4885FEN1 4615/4885
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF CYP2C19 2731/4885ALOX5AP 3809/4885FEN1 556/4885
US-20110263605-A1 Azabicyclo[2.2.1]Heptane Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA2, CHRNA5 CYP2C19 1945/4885ALOX5AP 2017/4885FEN1 4379/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP2C19 561/4885ALOX5AP 380/4885FEN1 4557/4885
US-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses IFNG, IFNAR1, TYK2 CYP2C19 1459/4885ALOX5AP 3949/4885FEN1 4161/4885
US-20120004221-A1 Antibacterial Compositions CYCS, COX6C, RPS6 CYP2C19 961/4885ALOX5AP 1926/4885FEN1 2436/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 CYP2C19 1368/4885ALOX5AP 2162/4885FEN1 3439/4885
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KRAS, HRAS, TP53 CYP2C19 4608/4885ALOX5AP 4650/4885FEN1 4083/4885
US-20100311766-A1 ANTIBACTERIAL COMPOSITIONS C5, AGK, CYCS CYP2C19 781/4885ALOX5AP 1041/4885FEN1 2078/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 CYP2C19 2920/4885ALOX5AP 3927/4885FEN1 4615/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK CYP2C19 28/4885ALOX5AP 671/4885FEN1 380/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP2C19 561/4885ALOX5AP 380/4885FEN1 4557/4885
US-20110263590-A1 Antibacterial Compositions CYCS, COX6C, RPS6 CYP2C19 1019/4885ALOX5AP 1944/4885FEN1 2427/4885
US-20220235032-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF RIPK1, RIPK4, RIPK3 CYP2C19 1054/4885ALOX5AP 3578/4885FEN1 1924/4885
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 CYP2C19 1459/4885ALOX5AP 3949/4885FEN1 4161/4885

“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.

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