SCHEMBL13199598

SCHEMBL13199598

Cc1cnc2[nH]cc(F)c2c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.44
CYP2C19 P33261 4/20 0.41
CYP2C9 P11712 5/20 0.41
BRAF P15056 1/20 0.41
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
MAP3K12 Q12852 1/20 0.38
KIT P10721 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
AURKC Q9UQB9 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
SCHEMBL7921128 0.80 MET (0.46) CYP3A4CYP2C19CYP2C9PRMT5WDR77
SCHEMBL24354692 0.79 CYP2C19 (0.40) CYP3A4CYP2C19CYP2C9PRMT5WDR77
SCHEMBL24005525 0.78 NTRK1 (0.41) BRAFPRMT5WDR77MAP3K12KIT
SCHEMBL31228005 0.77 BRD4 (0.54) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL1045946 0.77 BRD4 (0.54) CYP3A4CYP2C19CYP2C9KITKDR
SCHEMBL30287195 0.77 DYRK1A (0.43) PRMT5WDR77MAP3K12KITKDR
SCHEMBL91445 0.77 AXL (0.41) CYP3A4CYP2C19CYP2C9PRMT5WDR77
SCHEMBL25194118 0.77 DYRK1A (0.43) PRMT5WDR77MAP3K12KITKDR
SCHEMBL21902710 0.77 CYP2C19 (0.40) CYP3A4CYP2C19CYP2C9BRAF
SCHEMBL15154998 0.77 GSK3B (0.56) CYP3A4CYP2C19CYP2C9KIT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
WO-2023078398-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2023-05-11 WO disclosed
US-20220220104-A1 PYRAZOLOPYRIDINE COMPOUND AS RET INHIBITOR AND APPLICATION THEREOF GUANGZHOU BAIYUNSHAN PHARMACEUTICAL HOLDINGS CO., LTD. BAIYUNSHAN PHARMACEUTICAL GENERAL FACTORY (CN) 2022-07-14 US disclosed
WO-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
EP-3268373-B1 TRICYCLIC DLK INHIBITORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2022-04-27 EP disclosed
EP-3950685-A1 PYRAZOLOPYRIDINE COMPOUND AS RET INHIBITOR AND APPLICATION THEREOF Guangzhou Baiyunshan Pharmaceutical Holdings Co., Ltd. Baiyunshan Pharmaceutical General Factory (CN) 2022-02-09 EP disclosed
EP-3722284-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2020-10-14 EP disclosed
WO-2020200316-A1 PYRAZOLOPYRIDINE COMPOUND AS RET INHIBITOR AND APPLICATION THEREOF 南京明德新药研发有限公司 2020-10-08 WO disclosed
EP-3402781-B1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 EP disclosed
WO-2017121647-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2017-07-20 WO disclosed
US-20170008889-A1 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM Shanghai Haiyan Pharmaceutical Technology Co. Ltd. (CN) 2017-01-12 US disclosed
WO-2016142310-A1 TRICYCLIC DLK INHIBITORS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2016-09-15 WO disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 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 (4 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-20170008889-A1 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM ERBB2, EGFR, ERBB3 CYP3A4 603/4885CYP2C19 359/4885CYP2C9 719/4885
US-20090221608-A1 PYRAZOLE COMPOUNDS BRAF, RAF1, NRAS CYP3A4 64/4885CYP2C19 45/4885CYP2C9 71/4885
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 CYP3A4 514/4885CYP2C19 1055/4885CYP2C9 1092/4885
US-20220220104-A1 PYRAZOLOPYRIDINE COMPOUND AS RET INHIBITOR AND APPLICATION THEREOF RET, BRAF, RAF1 CYP3A4 4244/4885CYP2C19 3038/4885CYP2C9 3548/4885

“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.