SCHEMBL1179534

SCHEMBL1179534

CCc1cc(-c2noc(-c3cc(C)nc(NC4CC4)n3)n2)cc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ATM Q13315 3/20 0.44
USP2 O75604 1/20 0.43
PTGS2 P35354 1/20 0.39
S1PR1 P21453 11/20 0.38
S1PR3 Q99500 8/20 0.38
DNM2 P50570 1/20 0.35
S1PR5 Q9H228 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL1179828 0.90 KDM4E (0.50) KDM4EATMUSP2PTGS2DNM2
SCHEMBL1179518 0.84 S1PR1 (0.40) KDM4EATMS1PR1S1PR3MAPK1
SCHEMBL1179093 0.82 KDM4E (0.50) KDM4EATMS1PR1S1PR3DNM2
SCHEMBL1178826 0.82 S1PR1 (0.41) S1PR1S1PR3
SCHEMBL1424804 0.76 S1PR1 (0.50) S1PR1S1PR3
SCHEMBL1178939 0.75 S1PR1 (0.37) KDM4EATMS1PR1S1PR3
SCHEMBL1424727 0.75 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL1425070 0.75 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL1179883 0.74 KDM4E (0.43) KDM4EATMS1PR1S1PR3MAPK1
SCHEMBL3093061 0.74 S1PR1 (0.60) S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-24 US claimed
EP-2262800-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-12-22 EP claimed
WO-2009109907-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO claimed
US-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-24 US disclosed
EP-2262800-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-12-22 EP disclosed
WO-2009109907-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 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 (1 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-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES TYMP, DPYD, ENTPD5 KDM4E 1861/4885ATM 1361/4885USP2 4132/4885

“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.