SCHEMBL951232

SCHEMBL951232

COc1ccccc1NC(=O)c1n[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 1/20 0.66
FLT3 P36888 7/20 0.65
CDK2 P24941 2/20 0.65
KDM4E B2RXH2 3/20 0.65
NPC1 O15118 3/20 0.65
ALDH1A1 P00352 2/20 0.65
GAA P10253 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
CCNA2 P20248 1/20 0.60
CCNA1 P78396 1/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
HIF1A Q16665 2/20 0.59
YTHDC1 Q96MU7 1/20 0.59
STAT3 P40763 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
CTNNB1 P35222 1/20 0.57
WNT3A P56704 1/20 0.57
CYP1A2 P05177 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL4524085 0.91 FLT3 (0.83) EPHB3FLT3CDK2KDM4ENPC1
SCHEMBL4519232 0.89 FLT3 (0.57) EPHB3FLT3CDK2KDM4ENPC1
SCHEMBL1600113 0.84 FLT3 (0.56) EPHB3FLT3CDK2KDM4ENPC1
SCHEMBL954628 0.82 EPHB3 (0.71) EPHB3FLT3CDK2KDM4ECCNA2
SCHEMBL955081 0.80 EPHB3 (1.00) EPHB3FLT3CDK2KDM4ENPC1
SCHEMBL13502778 0.80 EPHB3 (0.71) EPHB3FLT3CDK2KDM4ENPC1
SCHEMBL953294 0.79 FLT3 (1.00) FLT3CDK2KDM4ECCNA2CCNA1
SCHEMBL951125 0.76 FLT3 (1.00) EPHB3FLT3CDK2KDM4ENPC1
SCHEMBL30398090 0.76 FLT3 (1.00) EPHB3FLT3CDK2KDM4ENPC1
SCHEMBL13548394 0.75 EPHB3 (0.64) EPHB3FLT3CDK2KDM4EALDH1A1

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 EPHB3 3663/4885FLT3 1154/4885CDK2 3323/4885
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 EPHB3 3663/4885FLT3 1154/4885CDK2 3323/4885

“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.