SCHEMBL1129156

SCHEMBL1129156

CCCc1n[nH]c2ncnc(Cl)c12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.38
CHEK1 O14757 1/20 0.38
OPRK1 P41145 1/20 0.36
CCR4 P51679 1/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
NR2F2 P24468 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PDK2 Q15119 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
EGFR P00533 1/20 0.30
CDK1 P06493 1/20 0.30
SRC P12931 1/20 0.30
GALR3 O60755 1/20 0.30
RPS6KB1 P23443 1/20 0.30

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
SCHEMBL8466511 0.90 CHEK1 (0.36) AURKACHEK1CCR4GAAMEN1
SCHEMBL1128852 0.86 CHEK1 (0.40) AURKACHEK1OPRK1CCR4POLB
SCHEMBL4925835 0.80 HCAR2 (0.33) POLBGAAALDH1A1
SCHEMBL1128452 0.74 CHEK1 (0.47) AURKACHEK1CCR4KMT2AEGFR
SCHEMBL9918632 0.73 CCR4 (0.50) AURKACHEK1CCR4POLBALDH1A1
SCHEMBL1128551 0.73 CHEK1 (0.43) AURKACHEK1CCR4MEN1NR2F2
SCHEMBL4931635 0.73 AURKA (0.39) AURKACHEK1CCR4EGFRCDK1
Methane SCHEMBL10423240 0.72 CHEK1 (0.46) AURKACHEK1CCR4EGFRCDK1
SCHEMBL8466429 0.72 PI4KA (0.46) GAAALDH1A1CDK1
SCHEMBL2783376 0.70 CHEK1 (0.53) AURKACHEK1PDK2CYP3A4CYP2C19

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
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 (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-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 AURKA 4802/4885CHEK1 4647/4885OPRK1 299/4885
US-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 AURKA 859/4885CHEK1 208/4885OPRK1 727/4885

“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.