SCHEMBL952895

SCHEMBL952895

O=C(Nc1ccc(Cl)cc1Cl)c1n[nH]c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 1/20 0.76
FLT3 P36888 7/20 0.59
CDK2 P24941 2/20 0.59
CCNA2 P20248 1/20 0.59
CCNA1 P78396 1/20 0.59
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
RAB9A P51151 2/20 0.55
GAA P10253 1/20 0.55
YTHDC1 Q96MU7 1/20 0.55
MAP4K1 Q92918 1/20 0.54
CSNK2A1 P68400 3/20 0.53
ROCK1 Q13464 1/20 0.53
ITK Q08881 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX15 P16050 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL4510064 0.91 EPHB3 (0.64) EPHB3FLT3CDK2CCNA2CCNA1
SCHEMBL955081 0.87 EPHB3 (1.00) EPHB3FLT3CDK2CCNA2CCNA1
SCHEMBL4509980 0.83 EPHB3 (0.78) EPHB3FLT3CDK2CCNA2CCNA1
SCHEMBL954669 0.81 FLT3 (0.78) EPHB3FLT3CDK2CCNA2CCNA1
SCHEMBL12861726 0.81 EPHB3 (0.56) EPHB3FLT3CDK2CCNA2CCNA1
SCHEMBL30695127 0.81 FLT3 (0.73) EPHB3FLT3CDK2CCNA2CCNA1
SCHEMBL953507 0.81 FLT3 (0.73) EPHB3FLT3CDK2CCNA2CCNA1
SCHEMBL12861724 0.79 LMNA (0.55) EPHB3FLT3CDK2CCNA2CCNA1
SCHEMBL952349 0.78 CSNK2A1 (0.69) EPHB3FLT3CDK2CCNA2CCNA1
SCHEMBL27596530 0.77 EPHB3 (0.61) EPHB3FLT3CDK2CCNA2CCNA1

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.