SCHEMBL3090942

SCHEMBL3090942

CCc1cc(-c2nc(-c3cc(C)nc(NC(C)C)n3)no2)cc(C)c1O

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.40
S1PR3 Q99500 14/20 0.40

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
SCHEMBL3082970 0.84 S1PR1 (0.37) S1PR1S1PR3
SCHEMBL1179655 0.82 S1PR1 (0.41) S1PR1
SCHEMBL3080072 0.82 IRAK4 (0.32) S1PR1S1PR3
SCHEMBL3098186 0.81 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL3080638 0.80 S1PR1 (0.46) S1PR1S1PR3
SCHEMBL3080691 0.80 S1PR1 (0.44) S1PR1S1PR3
SCHEMBL3080444 0.78 S1PR1 (0.33) S1PR1
SCHEMBL3090158 0.77 S1PR1 (0.72) S1PR1S1PR3
SCHEMBL3090156 0.77 S1PR1 (0.72) S1PR1S1PR3
SCHEMBL3210925 0.77 S1PR1 (0.59) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217594-B1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-01-08 EP disclosed
CN-101970430-B Novel pyrimidine derivatives ACTELION PHARMACEUTICALS LTD 2013-05-08 CN disclosed
US-8299086-B2 Pyrimidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-30 US disclosed
CN-101970430-A Novel pyrimidine derivatives ACTELION PHARMACEUTICALS LTD 2011-02-09 CN disclosed
US-20100234346-A1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-16 US disclosed
EP-2217594-A2 NOVEL PYRIMIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-08-18 EP disclosed
WO-2009057079-A2 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-05-07 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-20100234346-A1 NOVEL PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD S1PR1 989/4885S1PR3 943/4885

“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.