SCHEMBL4521580

SCHEMBL4521580

NCc1ccc2[nH]nc(C(=O)Nc3ccncc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 12/20 0.52
▸ WNT1 P04628 7/20 0.52
▸ FLT3 P36888 2/20 0.50
▸ CDK2 P24941 2/20 0.50
▸ CCNA2 P20248 1/20 0.50
▸ CCNA1 P78396 1/20 0.50
▸ CLK2 P49760 5/20 0.49
▸ CLK3 P49761 5/20 0.49
▸ CSNK2A1 P68400 1/20 0.47
▸ PRKCI P41743 2/20 0.46
▸ PRKAB2 O43741 1/20 0.45
▸ PRKAG1 P54619 1/20 0.45
▸ PRKAA2 P54646 1/20 0.45
▸ PRKAA1 Q13131 1/20 0.45
▸ PRKAG3 Q9UGI9 1/20 0.45
▸ PRKAG2 Q9UGJ0 1/20 0.45
▸ PRKAB1 Q9Y478 1/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ JAK1 P23458 1/20 0.45

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
SCHEMBL4531693 0.85 FLT3 (0.55) DYRK1AWNT1FLT3CDK2CCNA2
SCHEMBL4520668 0.82 FLT3 (0.55) DYRK1AWNT1FLT3CDK2CCNA2
SCHEMBL4522712 0.81 PRKAA1 (0.54) DYRK1AWNT1FLT3CDK2CCNA2
SCHEMBL23533919 0.79 DYRK1A (0.63) DYRK1AWNT1CDK2CLK2CLK3
SCHEMBL4519531 0.78 LRRK2 (0.57) DYRK1AWNT1FLT3CDK2CCNA2
SCHEMBL30026349 0.78 FLT3 (0.81) FLT3CDK2CCNA2CCNA1CSNK2A1
SCHEMBL4513067 0.77 CSNK2A1 (0.63) DYRK1AWNT1FLT3CDK2CCNA2
Hydrochloric Acid SCHEMBL4523142 0.77 LRRK2 (0.56) DYRK1AWNT1FLT3CDK2CCNA2
SCHEMBL14792760 0.77 DYRK1A (0.67) DYRK1AWNT1CLK2CLK3
SCHEMBL5945598 0.77 FLT3 (0.65) DYRK1AWNT1FLT3CDK2CCNA2

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 DYRK1A 425/4885WNT1 364/4885FLT3 255/4885

“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.

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