SCHEMBL10288701

SCHEMBL10288701

CC(C)c1cnc2cc[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.44
▸ APP P05067 1/20 0.41
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ ACACB O00763 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ SYK P43405 2/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 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
SCHEMBL24721331 0.86 BRD4 (0.42) BRD4APPPIK3C3ACACBKCNH2
SCHEMBL21186512 0.79 BRD4 (0.34) BRD4APP
SCHEMBL24721353 0.78 CDK8 (0.50) BRD4PIK3C3SYKALOX5APFEN1
SCHEMBL12219887 0.76 PARP1 (0.41) KDM4EALDH1A1
SCHEMBL28033381 0.75 BRD4 (0.42) BRD4APPPIK3C3ACACBKCNH2
SCHEMBL586478 0.75 BRD4 (0.51) BRD4APPPIK3C3MMP12SYK
SCHEMBL12896064 0.74 BRD4 (0.41) BRD4APPPIK3C3ACACBKCNH2
SCHEMBL19737587 0.74 MAPT (0.40) SCN10AALDH1A1MAPK1
SCHEMBL15058223 0.72 AHR (0.47) BRD4APPPIK3C3KDM4EALDH1A1
SCHEMBL8013060 0.72 PRKCI (0.53) BRD4SCN10AMMP12KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 — — WO disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 — — WO disclosed
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 — — US disclosed
US-20230295167-A1 POTENT AND SELECTIVE INHIBITORS OF HER2 DANA-FARBER CANCER INSTITUTE, INC. 2023-09-21 — — US disclosed
US-20230295167-A1 POTENT AND SELECTIVE INHIBITORS OF HER2 DANA-FARBER CANCER INSTITUTE, INC. 2023-09-21 — — US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 — — US disclosed
US-20230026271-A1 Piperazine Compounds for Inhibiting CPS1 EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-01-26 — — US disclosed
WO-2022271562-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-12-29 — — WO disclosed
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 — — US disclosed
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES Epizyme, Inc. 2021-07-15 — — US disclosed
US-20150266871-A1 BICYCLIC DIHYDROPYRIDONE KINASE INHIBITORS ALEXION PHARMACEUTICALS, INC. 2015-09-24 — — US disclosed
US-9139567-B2 Arylpyrazole ethers as inhibitors of leukotriene A4 hydrolase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-22 — — US disclosed
US-20150252056-A1 BICYCLIC OXA-LACTAM KINASE INHIBITORS ALEXION PHARMACEUTICALS, INC. 2015-09-10 — — US disclosed
US-9040530-B2 1,2,4-triazine-6-carboxamide kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2015-05-26 — — US disclosed
US-20140221373-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-07 — — US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 — — WO disclosed
US-20140113931-A1 SUBSTITUTED PICOLINAMIDE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-04-24 — — US disclosed
US-8623869-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-07 — — US disclosed
US-20120220576-A1 Novel Heterocyclic Derivatives NOVARTIS AG 2012-08-30 — — US disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 — — WO 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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 BRD4 544/4885APP 4402/4885PIK3C3 3082/4885
US-20150266871-A1 BICYCLIC DIHYDROPYRIDONE KINASE INHIBITORS SYK, JAK2, ZAP70 BRD4 370/4885APP 3030/4885PIK3C3 111/4885
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK BRD4 539/4885APP 4646/4885PIK3C3 917/4885
US-20230026271-A1 Piperazine Compounds for Inhibiting CPS1 CPS1, CPSF1, CPSF7 BRD4 397/4885APP 4664/4885PIK3C3 4258/4885
US-20150252056-A1 BICYCLIC OXA-LACTAM KINASE INHIBITORS SYK, BTK, JAK2 BRD4 601/4885APP 3608/4885PIK3C3 74/4885
US-20140113931-A1 SUBSTITUTED PICOLINAMIDE KINASE INHIBITORS SYK, LCK, BTK BRD4 1222/4885APP 1186/4885PIK3C3 293/4885
US-20120220576-A1 Novel Heterocyclic Derivatives NLN, TFEB, HNMT BRD4 796/4885APP 152/4885PIK3C3 4348/4885
US-20230295167-A1 POTENT AND SELECTIVE INHIBITORS OF HER2 ERBB2, EGFR, ERBB3 BRD4 1176/4885APP 4400/4885PIK3C3 529/4885
US-20140221373-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R BRD4 726/4885APP 2539/4885PIK3C3 2725/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 BRD4 544/4885APP 4402/4885PIK3C3 3082/4885
US-20210213014-A1 METHODS OF USING EHMT2 INHIBITORS IN IMMUNOTHERAPIES EHMT2, BHMT2, BHMT BRD4 764/4885APP 3523/4885PIK3C3 2133/4885

“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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