SCHEMBL841632

SCHEMBL841632

COC(=O)c1cn(C)nc1C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.51
ATM Q13315 1/20 0.48
NAMPT P43490 1/20 0.47
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
ALPL P05186 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
NR4A2 P43354 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
BRD4 O60885 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL27351592 0.83 GAA (0.46) GAAATMNAMPTALDH1A1SMN1; SMN2
SCHEMBL3267578 0.83 TSHR (0.50) GAAATMALDH1A1RAB9AMAPT
SCHEMBL4443917 0.81 CNR2 (0.47) GAAALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL24536370 0.80 GAA (0.44) GAAATMNAMPTALDH1A1SMN1; SMN2
SCHEMBL841237 0.80 ALDH1A1 (0.51) GAANAMPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL11564068 0.79 F2 (0.52) GAAATMALDH1A1MAPTNR4A2
SCHEMBL31499306 0.79 GAA (0.42) GAAATMNAMPTMAPTNR4A2
SCHEMBL25409621 0.79 KDM4E (0.43) GAAATMALDH1A1SMN1; SMN2RAB9A
SCHEMBL5653038 0.79 GAA (0.42) GAASMN1; SMN2CYP2C9MAPTNR4A2
SCHEMBL23362881 0.79 NR4A2 (0.40) GAAATMALDH1A1MAPTNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117388405-A High performance liquid chromatography detection method for 1, 3-dimethyl-1H-pyrazole-4-methyl formate 陕西大美化工科技有限公司 2024-01-12 CN disclosed
WO-2020114212-A1 4-(3-HETEROCYCLYL-1-BENZOYL) PYRAZOLE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION THEREOF AND USE THEREOF 青岛清原化合物有限公司 2020-06-11 WO disclosed
EP-2183252-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
EP-1678142-B1 HEXYL CARBOXANILIDES AND THEIR USE FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-10-01 EP disclosed
US-8143243-B2 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[3-(4-morpholinylcarbonyl)-2-pyridinyl]-, 1,1-dimethylethyl ester; 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[2-(4-morpholinylcarbonyl)phenyl]-, 1,1-dimethylethyl ester BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
EP-2396329-A1 Compounds for the treatment of hepatitis c Bristol-Myers Squibb Company (US) 2011-12-21 EP disclosed
WO-2010093359-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-19 WO disclosed
EP-2183252-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2010-05-12 EP disclosed
US-7652004-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
US-20090275561-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
US-20090074715-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
WO-2009029384-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-05 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 (2 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-20090074715-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 GAA 267/4885ATM 4627/4885NAMPT 938/4885
US-20090275561-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 GAA 267/4885ATM 4627/4885NAMPT 938/4885

“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.