SCHEMBL3118181

SCHEMBL3118181

Cc1nc(NC2CCCC2)cc(-c2ccc(S(C)(=O)=O)cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.65
PTGS1 P23219 9/20 0.58
SYK P43405 1/20 0.49
ATR Q13535 1/20 0.45
PFKFB3 Q16875 2/20 0.43

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
SCHEMBL3161223 0.88 PTGS2 (0.65) PTGS2PTGS1SYKATR
SCHEMBL3153521 0.80 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL3161824 0.80 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL5675573 0.75 PTGS2 (0.98) PTGS2PTGS1
SCHEMBL5675609 0.74 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3161588 0.73 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL3168024 0.73 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL3748251 0.72 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL3158145 0.72 PTGS2 (0.59) PTGS2PTGS1SYK
SCHEMBL13248616 0.72 GABBR2 (0.65) PTGS2PTGS1SYKATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 US 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-20100179127-A1 PYRIMIDINE DERIVATIVES DPYD, NUDT1, HPRT1 PTGS2 2711/4885PTGS1 2007/4885SYK 2016/4885

“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.