SCHEMBL81513

SCHEMBL81513

O=C(Nc1ccncc1)c1n[nH]c2ccc(-c3cncs3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 19/20 0.56
CLK2 P49760 6/20 0.56
CLK3 P49761 5/20 0.56
WNT1 P04628 12/20 0.55
LRRK2 Q5S007 1/20 0.50
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
SCHEMBL4520160 0.88 DYRK1A (0.47) DYRK1ACLK2CLK3WNT1LRRK2
SCHEMBL5916060 0.84 DYRK1A (0.59) DYRK1ACLK2CLK3WNT1CSNK2A1
SCHEMBL5716427 0.81 DYRK1A (0.82) DYRK1ACLK2CLK3WNT1
SCHEMBL952896 0.81 DYRK1A (0.62) DYRK1ACLK2CLK3WNT1DYRK3
SCHEMBL4520668 0.81 FLT3 (0.55) DYRK1ACLK2CLK3WNT1DYRK3
SCHEMBL23533899 0.80 TBK1 (0.56) DYRK1ACLK2CLK3WNT1DYRK3
SCHEMBL14792760 0.80 DYRK1A (0.67) DYRK1ACLK2CLK3WNT1
Hydrochloric Acid SCHEMBL952393 0.80 DYRK1A (0.80) DYRK1ACLK2CLK3WNT1
SCHEMBL23533919 0.80 DYRK1A (0.63) DYRK1ACLK2CLK3WNT1DYRK3
SCHEMBL952067 0.79 DYRK1A (0.55) DYRK1ACLK2CLK3WNT1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4762543-B2 2011-08-31 JP claimed
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
CN-1933834-A Use of indazolecarboxamide derivatives for the preparation of a medicament for the treatment and prevention of malaria SANOFI AVENTIS (FR) 2007-03-21 CN disclosed
EP-1727544-A1 USE OF INDAZOLECARBOXAMIDE DERIVATIVES FOR THE PREPARATION OF A MEDICAMENT THAT IS INTENDED FOR THE TREATMENT AND PREVENTION OF PALUDISM Sanofi-Aventis (FR) 2006-12-06 EP disclosed
US-20060004000-A1 Indazolecarboxamide derivatives, preparation and use thereof as CDK1, CDK2 and CDK4 inhibitors SANOFI-AVENTIS (FR) 2006-01-05 US disclosed
WO-2005099703-A1 USE OF INDAZOLECARBOXAMIDE DERIVATIVES FOR THE PREPARATION OF A MEDICAMENT THAT IS INTENDED FOR THE TREATMENT AND PREVENTION OF PALUDISM SANOFI-AVENTIS (FR) 2005-10-27 WO 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.