SCHEMBL951815

SCHEMBL951815

Cc1c(-c2ccncc2)cncc1-c1ccc2c(c1)c(C(=O)Nc1ccncc1)nn2COCC[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.39
MAPT P10636 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PAK1 Q13153 1/20 0.35
ROCK2 O75116 1/20 0.34
RIPK1 Q13546 1/20 0.33
NAMPT P43490 4/20 0.33
CPT1A P50416 1/20 0.32
CPT1B Q92523 1/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PDK1 Q15118 1/20 0.32
ROCK1 Q13464 1/20 0.32
DGAT1 O75907 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
SCHEMBL954050 0.93 GRM5 (0.37) GRM5MAPTCNR1CNR2PAK1
SCHEMBL4531463 0.91 GRM5 (0.36) GRM5MAPTCNR1CNR2PAK1
SCHEMBL4524532 0.88 MCL1 (0.39) NAMPTHTTALOX5AP
SCHEMBL951128 0.88 ABL1 (0.42) GRM5MAPTROCK2NAMPTROCK1
SCHEMBL4524692 0.87 L3MBTL1 (0.35) GRM5MAPTPAK1RIPK1MAPK1
SCHEMBL953701 0.86 PIK3C3 (0.41) GRM5MAPTPAK1NAMPTCPT1A
SCHEMBL27655692 0.84 DYRK1A (0.43) MAPTDGAT1
SCHEMBL952876 0.84 GRM5 (0.37) GRM5MAPTCNR1CNR2RIPK1
SCHEMBL954077 0.84 NPC1 (0.39) GRM5MAPTNAMPTMAPK1MEN1
SCHEMBL951836 0.84 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
US-7842711-B2 Indazolecarboxamide derivatives for the treatment and prevention of malaria SANOFI-AVENTIS (FR) 2010-11-30 US disclosed
US-7482342-B2 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2009-01-27 US disclosed
EP-1727544-A1 USE OF INDAZOLECARBOXAMIDE DERIVATIVES FOR THE PREPARATION OF A MEDICAMENT THAT IS INTENDED FOR THE TREATMENT AND PREVENTION OF PALUDISM Sanofi-Aventis (FR) 2006-12-06 EP disclosed
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2006-01-05 US disclosed
WO-2005099703-A1 USE OF INDAZOLECARBOXAMIDE DERIVATIVES FOR THE PREPARATION OF A MEDICAMENT THAT IS INTENDED FOR THE TREATMENT AND PREVENTION OF PALUDISM SANOFI-AVENTIS (FR) 2005-10-27 WO 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 (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-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 GRM5 2216/4885MAPT 1165/4885CNR1 2034/4885
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors CDK2, CDK1, CDK4 GRM5 3651/4885MAPT 2661/4885CNR1 357/4885

“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.