SCHEMBL1179655

SCHEMBL1179655

Cc1cc(-c2nc(-c3cc(C)nc(NC(C)C)n3)no2)cc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.41
S1PR5 Q9H228 2/20 0.41
GRM5 P41594 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH3 Q9ULD8 1/20 0.36
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1179044 0.89 TP53 (0.36) S1PR1S1PR5KDM4EATMTP53
SCHEMBL3090942 0.82 S1PR1 (0.40) S1PR1
SCHEMBL1179127 0.80 S1PR1 (0.47) S1PR1S1PR5TP53NPC1GAA
SCHEMBL1179290 0.79 KCNT1 (0.41) S1PR1S1PR5TP53
SCHEMBL1178826 0.79 S1PR1 (0.41) S1PR1
SCHEMBL1178669 0.78 KDM4E (0.58) S1PR1GRM5KDM4EATMMEN1
SCHEMBL1179721 0.77 S1PR1 (0.38) S1PR1S1PR5
SCHEMBL27828595 0.76 MAPT (0.48) S1PR1KDM4EATMTP53NPC1
SCHEMBL3094985 0.75 POLB (0.37) S1PR1KDM4EATMMEN1TP53
SCHEMBL3080691 0.75 S1PR1 (0.44) S1PR1

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 S1PR1 766/4885S1PR5 739/4885GRM5 1872/4885

“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.