SCHEMBL82695

SCHEMBL82695

Nc1ccc2[nH]nc(C(=O)Nc3ccc(CS)c(Cl)c3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 4/20 0.52
▸ JAK2 O60674 6/20 0.51
▸ JAK1 P23458 6/20 0.51
▸ ULK1 O75385 1/20 0.49
▸ ROCK1 Q13464 1/20 0.45
▸ FLT3 P36888 3/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ MAP4K1 Q92918 1/20 0.42
▸ WNT1 P04628 2/20 0.42
▸ DYRK1A Q13627 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ EPHB3 P54753 1/20 0.42

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
SCHEMBL954374 0.80 JAK2 (0.49) CSNK2A1JAK2JAK1ULK1ROCK1
SCHEMBL28775976 0.77 DYRK1A (0.66) CSNK2A1ULK1ROCK1FLT3CCNA2
SCHEMBL4007094 0.76 FLT3 (0.72) CSNK2A1JAK2JAK1ULK1ROCK1
SCHEMBL4531693 0.75 FLT3 (0.55) CSNK2A1JAK2JAK1ULK1FLT3
SCHEMBL12193634 0.74 KDM4E (0.53) CSNK2A1JAK2JAK1ULK1FLT3
SCHEMBL4510038 0.73 CSNK2A1 (0.51) CSNK2A1JAK2JAK1ROCK1FLT3
SCHEMBL952349 0.72 CSNK2A1 (0.69) CSNK2A1FLT3CCNA2CDK2CCNA1
SCHEMBL28944082 0.72 DYRK1A (0.69) FLT3WNT1DYRK1A
SCHEMBL28775990 0.71 DYRK1A (0.61) JAK2FLT3WNT1DYRK1A
SCHEMBL2468351 0.70 YTHDC1 (0.65) CSNK2A1JAK2JAK1ULK1FLT3

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 8 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-20070185187-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA SANOFI-AVENTIS (FR) 2007-08-09 — — 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 (2 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 CSNK2A1 2594/4885JAK2 3068/4885JAK1 3595/4885
US-20110021467-A1 INDAZOLECARBOXAMIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF MALARIA CYP3A43, CYP3A5, SIRT5 CSNK2A1 2594/4885JAK2 3068/4885JAK1 3595/4885

“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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