SCHEMBL952067

SCHEMBL952067

O=C(Nc1ccncc1)c1n[nH]c2ccc(-c3cnco3)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 15/20 0.55
CLK2 P49760 6/20 0.55
CLK3 P49761 5/20 0.55
WNT1 P04628 10/20 0.54
LRRK2 Q5S007 4/20 0.49
DYRK3 O43781 1/20 0.48
MAP4K4 O95819 1/20 0.48
CDK1 P06493 1/20 0.48
CDK2 P24941 1/20 0.48
MARK3 P27448 1/20 0.48
GSK3B P49841 1/20 0.48
CSNK2A1 P68400 1/20 0.48
CSNK1G2 P78368 1/20 0.48
CDK5 Q00535 1/20 0.48
MAP4K2 Q12851 1/20 0.48
PRKAA1 Q13131 1/20 0.48
CAMK2B Q13554 1/20 0.48
CAMK2G Q13555 1/20 0.48
CAMK2D Q13557 1/20 0.48
NTRK3 Q16288 1/20 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
SCHEMBL6221997 0.82 DYRK1A (0.67) DYRK1ACLK2CLK3WNT1LRRK2
SCHEMBL82445 0.82 LRRK2 (0.56) DYRK1ACLK2CLK3WNT1LRRK2
SCHEMBL4523534 0.81 DYRK1A (0.53) DYRK1ACLK2CLK3WNT1LRRK2
SCHEMBL23533926 0.80 DYRK1A (0.50) DYRK1ACLK2CLK3WNT1DYRK3
SCHEMBL952896 0.80 DYRK1A (0.62) DYRK1ACLK2CLK3WNT1DYRK3
SCHEMBL5716427 0.80 DYRK1A (0.82) DYRK1ACLK2CLK3WNT1
SCHEMBL5945615 0.80 FLT3 (0.60) DYRK1AWNT1CDK2CSNK2A1CDK5
SCHEMBL5915925 0.79 LRRK2 (0.53) LRRK2
SCHEMBL23533889 0.79 DYRK1A (0.56) DYRK1ACLK2CLK3WNT1LRRK2
SCHEMBL14792760 0.79 DYRK1A (0.67) DYRK1ACLK2CLK3WNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549620-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS Sanofi-Aventis (FR) 2005-07-06 EP claimed
WO-2004031158-A1 INDAZOLECARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF AS CDK1, CDK2 AND CDK4 INHIBITORS SANOFI-AVENTIS (FR) 2004-04-15 WO claimed
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-7482342-B2 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2009-01-27 US disclosed
US-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2007-08-09 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 (3 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 DYRK1A 3724/4885CLK2 3759/4885CLK3 2820/4885
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 DYRK1A 3724/4885CLK2 3759/4885CLK3 2820/4885
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors CDK2, CDK1, CDK4 DYRK1A 425/4885CLK2 162/4885CLK3 369/4885

“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.