SCHEMBL4522712

SCHEMBL4522712

O=C(Nc1ccncc1)c1n[nH]c2ccc(Br)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA1 Q13131 2/20 0.54
PRKAB2 O43741 1/20 0.54
PRKAG1 P54619 1/20 0.54
PRKAA2 P54646 1/20 0.54
PRKAG3 Q9UGI9 1/20 0.54
PRKAG2 Q9UGJ0 1/20 0.54
PRKAB1 Q9Y478 1/20 0.54
FLT3 P36888 5/20 0.53
CDK2 P24941 3/20 0.53
CCNA2 P20248 1/20 0.53
CCNA1 P78396 1/20 0.53
DYRK1A Q13627 7/20 0.52
CLK2 P49760 2/20 0.52
CLK3 P49761 1/20 0.52
WNT1 P04628 5/20 0.51
IDO1 P14902 1/20 0.48
PDPK1 O15530 1/20 0.48
JAK2 O60674 1/20 0.48
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47

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
SCHEMBL30912934 0.88 FLT3 (0.70) PRKAA1FLT3CDK2CCNA2CCNA1
SCHEMBL4531693 0.85 FLT3 (0.55) PRKAA1PRKAB2PRKAG1PRKAA2PRKAG3
SCHEMBL4520668 0.85 FLT3 (0.55) PRKAA1PRKAB2PRKAG1PRKAA2PRKAG3
SCHEMBL14785616 0.85 DYRK1A (0.64) DYRK1ACLK2CLK3WNT1
SCHEMBL29176619 0.84 FLT3 (0.58) PRKAA1FLT3CDK2CCNA2CCNA1
SCHEMBL4519531 0.81 LRRK2 (0.57) FLT3CDK2CCNA2CCNA1DYRK1A
SCHEMBL4521580 0.81 DYRK1A (0.52) PRKAA1PRKAB2PRKAG1PRKAA2PRKAG3
SCHEMBL30026349 0.81 FLT3 (0.81) FLT3CDK2CCNA2CCNA1IDO1
Hydrochloric Acid SCHEMBL4523142 0.80 LRRK2 (0.56) FLT3CDK2CCNA2CCNA1DYRK1A
SCHEMBL4513067 0.80 CSNK2A1 (0.63) FLT3CDK2CCNA2CCNA1DYRK1A

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 PRKAA1 1041/4885PRKAB2 2694/4885PRKAG1 2376/4885

“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.