SCHEMBL10280767

SCHEMBL10280767

CC(C)(C)c1ccc2ncncc2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.55
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
AR P10275 1/20 0.45
DGAT1 O75907 1/20 0.44
FGFR4 P22455 1/20 0.43
TDO2 P48775 1/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
KCNH2 Q12809 1/20 0.39
METAP2 P50579 1/20 0.37
TRPV1 Q8NER1 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL20132505 0.86 EGFR (0.51) EGFRPIK3CDPIK3CAARDGAT1
SCHEMBL9922346 0.85 EGFR (0.55) EGFRPIK3CDPIK3CAARDGAT1
SCHEMBL30056467 0.81 EGFR (0.55) EGFRPIK3CDPIK3CAARFGFR4
SCHEMBL27782831 0.81 EGFR (0.55) EGFRPIK3CDPIK3CAARFGFR4
SCHEMBL4548632 0.79 SCN10A (0.42) SCN10AKCNH2METAP2TRPV1PDE10A
SCHEMBL24489508 0.76 DGAT1 (0.35) EGFRARDGAT1TDO2
SCHEMBL28050718 0.76 EGFR (0.42) EGFRPIK3CDPIK3CAARFGFR4
SCHEMBL29985188 0.75 EGFR (0.60) EGFRPIK3CDPIK3CAARFGFR4
SCHEMBL1771905 0.75 EGFR (0.60) EGFRPIK3CDPIK3CAARFGFR4
SCHEMBL4548606 0.74 SCN10A (0.39) SCN10AKCNH2METAP2TRPV1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11813257-B2 Methods of treating erythropoietic protoporphyria, X-linked protoporphyria, or congenital erythropoietic porphyria with glycine transport inhibitors DISC MEDICINE, INC. (US) 2023-11-14 US disclosed
US-11813257-B2 Methods of treating erythropoietic protoporphyria, X-linked protoporphyria, or congenital erythropoietic porphyria with glycine transport inhibitors DISC MEDICINE, INC. (US) 2023-11-14 US disclosed
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2023-09-28 US disclosed
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2023-09-28 US disclosed
US-20230278993-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2023-09-07 US disclosed
US-20120245181-A1 OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING SAME TREVENA, INC. (US) 2012-09-27 US disclosed
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-08-16 US disclosed
US-8217177-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-07-10 US disclosed
US-8217177-B2 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2012-07-10 US disclosed
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-05-03 US disclosed
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. 2011-05-19 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090124612-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-20090124609-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 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-20230278993-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF PDCD1, CD274, PDCD1LG2 EGFR 2815/4885PIK3CD 1626/4885PIK3CA 1223/4885
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 EGFR 2844/4885PIK3CD 86/4885PIK3CA 26/4885
US-20090124612-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET EGFR 265/4885PIK3CD 2780/4885PIK3CA 1256/4885
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF EGFR 1718/4885PIK3CD 3261/4885PIK3CA 2613/4885
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 EGFR 1013/4885PIK3CD 1114/4885PIK3CA 2052/4885
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 EGFR 973/4885PIK3CD 918/4885PIK3CA 1672/4885
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS HGF, HGFAC, MET EGFR 234/4885PIK3CD 608/4885PIK3CA 351/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 EGFR 1941/4885PIK3CD 984/4885PIK3CA 916/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP EGFR 1658/4885PIK3CD 737/4885PIK3CA 519/4885
US-20090124609-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET EGFR 265/4885PIK3CD 2780/4885PIK3CA 1256/4885
US-20120245181-A1 OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING SAME OPRL1, OPRK1, OPRM1 EGFR 578/4885PIK3CD 4662/4885PIK3CA 4568/4885
US-11813257-B2 Methods of treating erythropoietic protoporphyria, X-linked protoporphyria, or congenital erythropoietic porphyria with glycine transport inhibitors GFPT1, MPST, XPNPEP1 EGFR 2550/4885PIK3CD 4687/4885PIK3CA 3862/4885
US-20120107275-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET EGFR 265/4885PIK3CD 2780/4885PIK3CA 1256/4885

“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.