SCHEMBL9922346

SCHEMBL9922346

CC(C)(C)c1ccc2cncnc2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.55
DGAT1 O75907 1/20 0.44
IMPDH2 P12268 2/20 0.40
TDO2 P48775 1/20 0.39
AR P10275 1/20 0.36
NOTUM Q6P988 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
CDK2 P24941 1/20 0.36
AKT1 P31749 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL10280767 0.85 EGFR (0.55) EGFRDGAT1TDO2ARPIK3CD
SCHEMBL19252725 0.83 EGFR (0.49) EGFRIMPDH2TDO2ARNOTUM
SCHEMBL28128190 0.81 EGFR (0.55) EGFRTDO2CDK2AKT1
SCHEMBL22778768 0.80 EGFR (0.46) EGFRDGAT1IMPDH2TDO2AR
SCHEMBL1695518 0.77 TRPV1 (0.40) TDO2KCNH2SCN10AALDH1A1HPGD
SCHEMBL1771615 0.75 EGFR (0.60) EGFRIMPDH2TDO2NOTUMALDH1A1
SCHEMBL14378414 0.74 CYP1A2 (0.53) KCNH2SCN10AALDH1A1HPGDALOX15
SCHEMBL8641138 0.74 EGFR (0.64) EGFRIMPDH2TDO2PIK3CDPIK3CA
SCHEMBL9968622 0.74 EGFR (0.54) EGFRIMPDH2TDO2ARNOTUM
SCHEMBL14805778 0.74 EGFR (0.50) EGFRIMPDH2TDO2ARNOTUM

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 104 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-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-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-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-11-12 US disclosed
US-20090275592-A1 Heterocyclic modulators of PKB AMGEN INC. (US) 2009-11-05 US disclosed
US-20090270445-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2009-10-29 US disclosed
US-7592331-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 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 (14 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 EGFR 1941/4885DGAT1 656/4885IMPDH2 3824/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP EGFR 1500/4885DGAT1 44/4885IMPDH2 2474/4885
US-20090275592-A1 Heterocyclic modulators of PKB MTOR, PDK1, EIF4EBP1 EGFR 1166/4885DGAT1 1091/4885IMPDH2 2558/4885
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 EGFR 1013/4885DGAT1 3377/4885IMPDH2 2603/4885
US-20230303531-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 EGFR 973/4885DGAT1 3374/4885IMPDH2 1989/4885
US-20090270445-A1 Thiazole compounds and methods of use MTOR, JAK2, TK2 EGFR 461/4885DGAT1 1697/4885IMPDH2 2201/4885
US-20090281139-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 EGFR 1939/4885DGAT1 4758/4885IMPDH2 4747/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 EGFR 555/4885DGAT1 1337/4885IMPDH2 2131/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 EGFR 1941/4885DGAT1 656/4885IMPDH2 3824/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 EGFR 1939/4885DGAT1 4758/4885IMPDH2 4747/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 EGFR 1686/4885DGAT1 300/4885IMPDH2 4602/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP EGFR 1658/4885DGAT1 45/4885IMPDH2 3019/4885
US-11813257-B2 Methods of treating erythropoietic protoporphyria, X-linked protoporphyria, or congenital erythropoietic porphyria with glycine transport inhibitors GFPT1, MPST, XPNPEP1 EGFR 2550/4885DGAT1 1035/4885IMPDH2 1722/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 EGFR 1686/4885DGAT1 300/4885IMPDH2 4602/4885

“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.