SCHEMBL1179290

SCHEMBL1179290

COc1cc(-c2noc(-c3cc(C)nc(NC(C)C)n3)n2)cc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNT1 Q5JUK3 1/20 0.41
TP53 P04637 1/20 0.38
S1PR1 P21453 14/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
S1PR3 Q99500 7/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
S1PR5 Q9H228 1/20 0.33
HTT P42858 1/20 0.33

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) TP53S1PR1POLBMAPTS1PR5
SCHEMBL1178826 0.81 S1PR1 (0.41) S1PR1S1PR3
SCHEMBL1179127 0.80 S1PR1 (0.47) KCNT1TP53S1PR1POLBMAPT
SCHEMBL1179655 0.79 S1PR1 (0.41) TP53S1PR1S1PR5
SCHEMBL1179721 0.78 S1PR1 (0.38) S1PR1S1PR3S1PR5
SCHEMBL27828595 0.77 MAPT (0.48) TP53S1PR1POLBMAPTS1PR3
SCHEMBL3094985 0.76 POLB (0.37) TP53S1PR1POLBMAPT
SCHEMBL3086386 0.74 S1PR1 (0.48) S1PR1S1PR3
SCHEMBL3086397 0.74 S1PR1 (0.48) S1PR1S1PR3
SCHEMBL3074510 0.74 S1PR1 (0.51) 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 2 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
US-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-24 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-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES TYMP, DPYD, ENTPD5 KCNT1 3749/4885TP53 299/4885S1PR1 766/4885

“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.