SCHEMBL91426

SCHEMBL91426

COc1cncc(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
MKNK2 Q9HBH9 2/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
PRKACA P17612 1/20 0.42
ROCK1 Q13464 1/20 0.42
DYRK1A Q13627 1/20 0.42
NTRK3 Q16288 1/20 0.42
PKN2 Q16513 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
STK17A Q9UEE5 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CCR6 P51684 1/20 0.38
KCNH2 Q12809 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38

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
SCHEMBL14005542 0.85 XDH (0.44) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL19504515 0.83 CYP11B1 (0.40) CYP1A1CYP1B1CYP11B1CYP11B2MKNK2
SCHEMBL22338687 0.83 CYP11B1 (0.44) CYP1A1CYP1B1CYP11B1CYP11B2MKNK2
SCHEMBL27795957 0.83 CYP11B1 (0.44) CYP1A1CYP1B1CYP11B1CYP11B2MKNK2
SCHEMBL2202031 0.81 CYP11B1 (0.49) CYP1A1CYP1B1CYP11B1CYP11B2MKNK2
SCHEMBL22302832 0.80 CYP11B1 (0.45) CYP1A1CYP1B1CYP11B1CYP11B2MKNK2
SCHEMBL19251170 0.80 CYP11B1 (0.38) CYP1A1CYP1B1CYP11B1CYP11B2MKNK2
SCHEMBL21424457 0.79 CYP11B1 (0.37) CYP1A1CYP1B1CYP11B1CYP11B2MKNK2
SCHEMBL744752 0.78 CYP1A1 (0.61) CYP1A1CYP1B1CYP11B1CYP11B2MKNK2
SCHEMBL823824 0.78 GABRA1 (0.46) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR Pelemed Co., Ltd. (UA) 2023-12-14 US disclosed
US-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR Pelemed Co., Ltd. (UA) 2023-12-14 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 US disclosed
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-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 US disclosed
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES WYETH (US) 2010-05-13 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
US-20090143361-A1 Pyrido[3,2-E]Pyrazines, Process For Preparing The Same, And Their Use As Inhibitors Of Phosphodiesterase 10 ELBION GMBH (DE) 2009-06-04 US disclosed
US-20070293508-A1 Crf Receptor Antagonists and Methods Relating Thereto SB PHARMCO PUERTO RICO INC AND NEUROCRINE BIOSCIENCES, INC. (US) 2007-12-20 US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 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 (16 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 CYP1A1 67/4885CYP1B1 34/4885CYP11B1 24/4885
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B CYP1A1 1944/4885CYP1B1 560/4885CYP11B1 690/4885
US-20090143361-A1 Pyrido[3,2-E]Pyrazines, Process For Preparing The Same, And Their Use As Inhibitors Of Phosphodiesterase 10 PDE12, PDE5A, PDE3A CYP1A1 225/4885CYP1B1 118/4885CYP11B1 87/4885
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 CYP1A1 191/4885CYP1B1 264/4885CYP11B1 53/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP1A1 1436/4885CYP1B1 1266/4885CYP11B1 1560/4885
US-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 CYP1A1 396/4885CYP1B1 673/4885CYP11B1 1639/4885
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto CRHR1, CRHR2, CRH CYP1A1 774/4885CYP1B1 1414/4885CYP11B1 367/4885
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B CYP1A1 1944/4885CYP1B1 560/4885CYP11B1 690/4885
US-20070293508-A1 Crf Receptor Antagonists and Methods Relating Thereto CRHR1, CRHR2, SCTR CYP1A1 885/4885CYP1B1 1432/4885CYP11B1 399/4885
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES PDE2A, PDE5A, PDE3A CYP1A1 49/4885CYP1B1 88/4885CYP11B1 536/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS CYP1A1 4155/4885CYP1B1 3928/4885CYP11B1 3938/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 CYP1A1 373/4885CYP1B1 460/4885CYP11B1 371/4885
US-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR ZC3HAV1, COPB1, CNBP CYP1A1 4612/4885CYP1B1 4593/4885CYP11B1 4793/4885
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases PDE2A, PDE5A, PDE12 CYP1A1 515/4885CYP1B1 488/4885CYP11B1 419/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP1A1 1001/4885CYP1B1 1277/4885CYP11B1 1168/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 CYP1A1 1356/4885CYP1B1 1075/4885CYP11B1 581/4885

“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.