SCHEMBL4531463

SCHEMBL4531463

Cc1c(C(N)=O)cncc1-c1ccc2c(c1)c(C(=O)Nc1ccncc1)nn2COCC[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.36
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
PAK1 Q13153 1/20 0.33
ALOX5AP P20292 1/20 0.33
IKBKE Q14164 4/20 0.32
TBK1 Q9UHD2 4/20 0.32
ROCK2 O75116 1/20 0.32
ACVR1 Q04771 3/20 0.32
RIPK1 Q13546 1/20 0.31
TGFBR1 P36897 1/20 0.31
NAMPT P43490 1/20 0.31
CFD P00746 2/20 0.31
CPT1A P50416 1/20 0.31
CPT1B Q92523 1/20 0.31

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
SCHEMBL951815 0.91 GRM5 (0.39) GRM5MAPTCNR1CNR2PAK1
SCHEMBL954050 0.91 GRM5 (0.37) GRM5MAPTCNR1CNR2PAK1
SCHEMBL4524532 0.89 MCL1 (0.39) ALOX5APNAMPT
SCHEMBL951128 0.84 ABL1 (0.42) GRM5MAPTROCK2NAMPT
SCHEMBL4524692 0.84 L3MBTL1 (0.35) GRM5MAPTPAK1RIPK1
SCHEMBL953701 0.83 PIK3C3 (0.41) GRM5MAPTPAK1IKBKETBK1
SCHEMBL27655692 0.81 DYRK1A (0.43) MAPTCFD
SCHEMBL952876 0.81 GRM5 (0.37) GRM5NPC1MAPTCNR1CNR2
SCHEMBL954077 0.80 NPC1 (0.39) GRM5NPC1MAPTNAMPT
SCHEMBL951836 0.80 GRM5 (0.38) GRM5MAPTCNR1CNR2CPT1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482342-B2 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2009-01-27 US disclosed
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2006-01-05 US disclosed
EP-1549620-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS Sanofi-Aventis (FR) 2005-07-06 EP disclosed
WO-2004031158-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS SANOFI-AVENTIS (FR) 2004-04-15 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 (1 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-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors CDK2, CDK1, CDK4 GRM5 3651/4885NPC1 3984/4885MAPT 2661/4885

“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.