SCHEMBL4513067

SCHEMBL4513067

O=C(Nc1ccncc1)c1n[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.63
MAPK1 P28482 3/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
PPARG P37231 1/20 0.55
PPARA Q07869 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 4/20 0.51
POLB P06746 3/20 0.51
MITF O75030 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 5/20 0.49
USP2 O75604 2/20 0.49
ALDH1A1 P00352 3/20 0.49
CDK2 P24941 3/20 0.49
FLT3 P36888 2/20 0.49
CCNA2 P20248 1/20 0.49
CCNA1 P78396 1/20 0.49
DYRK1A Q13627 3/20 0.48

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
SCHEMBL5945664 0.89 CSNK2A1 (0.64) CSNK2A1MAPK1CYP3A4PPARGSMN1; SMN2
SCHEMBL29732646 0.87 CSNK2A1 (0.65) CSNK2A1MAPTPOLBHPGDKMT2A
SCHEMBL28776010 0.87 CSNK2A1 (0.65) CSNK2A1MAPTPOLBHPGDKMT2A
SCHEMBL4520668 0.81 FLT3 (0.55) CSNK2A1CDK2FLT3CCNA2CCNA1
SCHEMBL2472386 0.81 CSNK2A1 (0.60) CSNK2A1MAPTPOLBHPGDKMT2A
SCHEMBL4531693 0.81 FLT3 (0.55) CSNK2A1MAPTPOLBCDK2FLT3
SCHEMBL14699134 0.80 CSNK2A1 (0.60) CSNK2A1DYRK1ACLK2CLK3
SCHEMBL4522712 0.80 PRKAA1 (0.54) CSNK2A1ALDH1A1CDK2FLT3CCNA2
SCHEMBL28775985 0.80 MAPT (0.61) CSNK2A1MAPK1SMN1; SMN2MAPTPOLB
SCHEMBL29732649 0.80 MAPT (0.61) CSNK2A1MAPK1SMN1; SMN2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482342-B2 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2009-01-27 US disclosed
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2006-01-05 US disclosed
EP-1549620-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS Sanofi-Aventis (FR) 2005-07-06 EP disclosed
WO-2004031158-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS SANOFI-AVENTIS (FR) 2004-04-15 WO 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-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors CDK2, CDK1, CDK4 CSNK2A1 62/4885MAPK1 241/4885CYP3A4 1122/4885

“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.