SCHEMBL953701

SCHEMBL953701

C[Si](C)(C)CCOCn1nc(C(=O)Nc2ccncc2)c2cc(-c3cncc4[nH]ccc34)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.41
DYRK1A Q13627 4/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
GRM5 P41594 1/20 0.35
CLK2 P49760 3/20 0.34
CLK3 P49761 3/20 0.34
GSK3B P49841 1/20 0.34
BRD4 O60885 1/20 0.34
MAPT P10636 1/20 0.34
HPGDS O60760 4/20 0.33
PAK1 Q13153 1/20 0.33
CPT1A P50416 1/20 0.32
CPT1B Q92523 1/20 0.32
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
AKT1 P31749 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
SCHEMBL951815 0.86 GRM5 (0.39) GRM5MAPTPAK1CPT1ACPT1B
SCHEMBL951128 0.86 ABL1 (0.42) DYRK1AGRM5MAPTNAMPT
SCHEMBL954050 0.84 GRM5 (0.37) DYRK1AGRM5CLK2MAPTPAK1
SCHEMBL4531463 0.83 GRM5 (0.36) GRM5MAPTPAK1CPT1ACPT1B
SCHEMBL27655692 0.81 DYRK1A (0.43) DYRK1ACLK2CLK3MAPT
SCHEMBL952876 0.81 GRM5 (0.37) GRM5MAPTCPT1ACPT1BMEN1
SCHEMBL951836 0.80 GRM5 (0.38) GRM5MAPTCPT1ACPT1B
SCHEMBL954077 0.80 NPC1 (0.39) GRM5MAPTMEN1MAPK1KMT2A
SCHEMBL4524532 0.80 MCL1 (0.39) DYRK1ACLK2CLK3NAMPT
SCHEMBL4521537 0.80 FLT1 (0.44) NAMPT

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 6 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
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2006-01-05 US 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 PIK3C3 3558/4885DYRK1A 3724/4885PRMT5 615/4885
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 PIK3C3 3558/4885DYRK1A 3724/4885PRMT5 615/4885
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors CDK2, CDK1, CDK4 PIK3C3 1469/4885DYRK1A 425/4885PRMT5 990/4885

“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.