SCHEMBL13870586

SCHEMBL13870586

C=Nc1c(C(=O)O)nn(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.51
CYP2C19 P33261 3/20 0.51
CYP1A2 P05177 2/20 0.51
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 2/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
RPA1 P27694 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL13870585 0.89 CYP2C9 (0.49) CYP2C9CYP2C19CYP1A2ALDH1A1CYP3A4
SCHEMBL13870588 0.82 ALDH1A1 (0.66) CYP2C9CYP2C19ALDH1A1CYP3A4CA1
SCHEMBL2915869 0.77 CYP2C9 (0.63) CYP2C9CYP2C19CYP1A2ALDH1A1CYP3A4
SCHEMBL13870589 0.77 CYP1A2 (0.55) CYP2C9CYP2C19CYP1A2ALDH1A1CA1
SCHEMBL2918680 0.77 CYP2C9 (0.55) CYP2C9CYP2C19CYP1A2ALDH1A1CYP3A4
SCHEMBL10357411 0.75 CYP2C9 (0.64) CYP2C9CYP2C19CYP1A2ALDH1A1CYP3A4
SCHEMBL3822877 0.73 KDM4E (0.59) CYP2C9CYP2C19CYP1A2ALDH1A1CYP3A4
SCHEMBL6123601 0.73 CYP2C9 (0.51) CYP2C9CYP2C19CYP1A2ALDH1A1CYP3A4
SCHEMBL6123547 0.73 ALDH1A1 (0.56) CYP2C9CYP2C19CYP1A2ALDH1A1CYP3A4
SCHEMBL4487634 0.70 KDM4E (0.72) CYP2C9CYP2C19CYP1A2ALDH1A1CA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521471-B2 4-cyanopyrazole-3-carboxamide derivatives, preparation and application thereof SANOFI-AVENTIS (FR) 2009-04-21 US disclosed
US-20070293541-A1 4-CYANOPYRAZOLE-3-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF SANOFI-AVENTIS (FR) 2007-12-20 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 (1 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-20070293541-A1 4-CYANOPYRAZOLE-3-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF CBR3, CNR1, CNR2 CYP2C9 177/4885CYP2C19 248/4885CYP1A2 321/4885

“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.