SCHEMBL952876

SCHEMBL952876

C[Si](C)(C)CCOCn1nc(C(=O)Nc2ccncc2)c2cc(I)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
MAPT P10636 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
RIPK1 Q13546 1/20 0.35
HIF1A Q16665 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 3/20 0.34
STAT3 P40763 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
CPT1A P50416 1/20 0.34
CPT1B Q92523 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
SCHEMBL954359 0.88 GRM5 (0.36) GRM5MAPTCNR1CNR2RIPK1
SCHEMBL12915090 0.87 MAPT (0.38) MAPTHIF1ANPC1
SCHEMBL951836 0.86 GRM5 (0.38) GRM5MAPTCNR1CNR2PDE4A
SCHEMBL27655692 0.85 DYRK1A (0.43) MAPTSMN1; SMN2
SCHEMBL954077 0.85 NPC1 (0.39) GRM5MAPTNPC1LMNAMEN1
SCHEMBL952406 0.84 IKBKE (0.43) GRM5MAPTCPT1ACPT1B
SCHEMBL951815 0.84 GRM5 (0.39) GRM5MAPTCNR1CNR2RIPK1
SCHEMBL5716455 0.83 NPC1 (0.39) MAPTHIF1ANPC1LMNAMEN1
SCHEMBL951128 0.82 ABL1 (0.42) GRM5MAPTHIF1ASMN1; SMN2NAMPT
SCHEMBL954050 0.82 GRM5 (0.37) GRM5MAPTCNR1CNR2RIPK1

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 9 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
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 (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.