SCHEMBL952937

SCHEMBL952937

O=C(Nc1ccc(CS)cc1)c1n[nH]c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 11/20 0.77
CDK2 P24941 3/20 0.77
CCNA2 P20248 1/20 0.77
CCNA1 P78396 1/20 0.77
CSNK2A1 P68400 4/20 0.64
MAP4K4 O95819 1/20 0.62
NTRK1 P04629 1/20 0.62
MAP4K1 Q92918 1/20 0.62
IDO1 P14902 1/20 0.58
ITK Q08881 1/20 0.58
CDK5 Q00535 1/20 0.57
CDK5R1 Q15078 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL4526069 0.89 CSNK2A1 (0.75) FLT3CDK2CCNA2CCNA1CSNK2A1
SCHEMBL951125 0.87 FLT3 (1.00) FLT3CDK2CCNA2CCNA1CSNK2A1
SCHEMBL30398090 0.87 FLT3 (1.00) FLT3CDK2CCNA2CCNA1CSNK2A1
SCHEMBL4523169 0.85 FLT3 (0.89) FLT3CDK2CCNA2CCNA1CSNK2A1
SCHEMBL5945611 0.84 FLT3 (0.69) FLT3CDK2CCNA2CCNA1CSNK2A1
SCHEMBL29365548 0.83 FLT3 (0.81) FLT3CDK2CCNA2CCNA1CSNK2A1
SCHEMBL4509961 0.82 FLT3 (0.78) FLT3CDK2CCNA2CCNA1CSNK2A1
SCHEMBL29732692 0.82 FLT3 (0.78) FLT3CDK2CCNA2CCNA1CSNK2A1
SCHEMBL954669 0.82 FLT3 (0.78) FLT3CDK2CCNA2CCNA1CSNK2A1
SCHEMBL5945671 0.81 CSNK2A1 (0.73) FLT3CDK2CCNA2CCNA1CSNK2A1

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 3 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-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2007-08-09 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 (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-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 FLT3 1154/4885CDK2 3323/4885CCNA2 4122/4885
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 FLT3 1154/4885CDK2 3323/4885CCNA2 4122/4885

“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.