SCHEMBL952406

SCHEMBL952406

C[Si](C)(C)CCOCn1cc(-c2ccc3c(c2)c(C(=O)Nc2ccncc2)nn3COCC[Si](C)(C)C)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 9/20 0.43
TBK1 Q9UHD2 9/20 0.43
GSK3B P49841 3/20 0.37
DYRK1A Q13627 3/20 0.37
MAP4K4 O95819 2/20 0.37
MAPT P10636 1/20 0.36
KDR P35968 1/20 0.35
GRM5 P41594 1/20 0.35
PRKAB2 O43741 2/20 0.34
ABL1 P00519 2/20 0.34
CSF1R P07333 2/20 0.34
LYN P07948 2/20 0.34
TGFBR1 P36897 2/20 0.34
TGFBR2 P37173 2/20 0.34
PRKAG1 P54619 2/20 0.34
SIK1 P57059 2/20 0.34
PRKAA1 Q13131 2/20 0.34
SIK2 Q9H0K1 2/20 0.34
SIK3 Q9Y2K2 2/20 0.34
CPT1A P50416 1/20 0.34

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
SCHEMBL27655692 0.86 DYRK1A (0.43) DYRK1AMAPTKDR
SCHEMBL952876 0.84 GRM5 (0.37) MAPTGRM5CPT1ACPT1B
SCHEMBL951836 0.84 GRM5 (0.38) MAPTGRM5ABL1CPT1ACPT1B
SCHEMBL954077 0.84 NPC1 (0.39) MAPTGRM5
SCHEMBL951815 0.83 GRM5 (0.39) MAPTGRM5CPT1ACPT1B
SCHEMBL954359 0.81 GRM5 (0.36) MAPTGRM5CPT1ACPT1B
SCHEMBL951128 0.81 ABL1 (0.42) DYRK1AMAPTKDRGRM5ABL1
SCHEMBL954050 0.81 GRM5 (0.37) IKBKETBK1DYRK1AMAP4K4MAPT
SCHEMBL4531463 0.80 GRM5 (0.36) IKBKETBK1MAPTGRM5TGFBR1
SCHEMBL953701 0.80 PIK3C3 (0.41) IKBKETBK1GSK3BDYRK1AMAPT

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 10 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
US-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2007-08-09 US disclosed
CN-1933834-A Use of indazolecarboxamide derivatives for the preparation of a medicament for the treatment and prevention of malaria SANOFI AVENTIS (FR) 2007-03-21 CN 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 (3 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-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 IKBKE 732/4885TBK1 3077/4885GSK3B 2803/4885
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 IKBKE 732/4885TBK1 3077/4885GSK3B 2803/4885
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors CDK2, CDK1, CDK4 IKBKE 295/4885TBK1 3116/4885GSK3B 342/4885

“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.