SCHEMBL1128852

SCHEMBL1128852

CCc1n[nH]c2ncnc(Cl)c12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.36
CCR4 P51679 1/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
POLB P06746 1/20 0.33
OPRK1 P41145 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
EGFR P00533 3/20 0.32
CDK1 P06493 3/20 0.32
SRC P12931 1/20 0.32
ABL1 P00519 1/20 0.31
PRKCA P17252 1/20 0.31

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
SCHEMBL1129156 0.86 AURKA (0.38) CHEK1AURKACCR4POLBOPRK1
SCHEMBL8466511 0.83 CHEK1 (0.36) CHEK1AURKACCR4CDK1
SCHEMBL18588897 0.83 ALDH1A1 (0.31) CCR4
SCHEMBL13717511 0.80 PIK3CD (0.37) EGFRSRCABL1
SCHEMBL4923299 0.79
SCHEMBL1128452 0.77 CHEK1 (0.47) CHEK1AURKACCR4EGFRCDK1
SCHEMBL9918632 0.76 CCR4 (0.50) CHEK1AURKACCR4POLBEGFR
SCHEMBL1128551 0.76 CHEK1 (0.43) CHEK1AURKACCR4EGFRCDK1
SCHEMBL4931635 0.76 AURKA (0.39) CHEK1AURKACCR4EGFRCDK1
SCHEMBL15559040 0.75 CHEK1 (0.40) CHEK1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566866-A1 4 SUBSTITUTED PYRAZOLOPYRIMIDINES USEFUL AS PKC-THETA INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2013-03-13 EP disclosed
US-20120172379-A1 4 SUBSTITUTED PYRAZOLOPYRIMIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-05 US disclosed
US-20120172379-A1 4 SUBSTITUTED PYRAZOLOPYRIMIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-05 US disclosed
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
EP-2283019-A1 GPR119 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2011-02-16 EP disclosed
WO-2009141238-A1 GPR119 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-26 WO disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US disclosed
EP-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 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-20120172379-A1 4 SUBSTITUTED PYRAZOLOPYRIMIDINES MAP4K5, MAP4K4, MAP4K2 CHEK1 247/4885AURKA 222/4885CCR4 2218/4885
US-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 CHEK1 4647/4885AURKA 4802/4885CCR4 2369/4885
US-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 CHEK1 208/4885AURKA 859/4885CCR4 1407/4885

“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.