SCHEMBL17401564

SCHEMBL17401564

N#CCCCCn1c(NCc2ccc(C(=O)O)cc2)cc(=O)n2cc(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 2/20 0.41
▸ PPARA Q07869 2/20 0.38
▸ VNN1 O95497 1/20 0.37
▸ ENPP2 Q13822 1/20 0.36
▸ EPHB4 P54760 1/20 0.36
▸ TPH1 P17752 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
SCHEMBL17401637 0.90 ENPP2 (0.38) VNN1ENPP2TPH1
SCHEMBL17401638 0.84 GPBAR1 (0.38) VNN1ENPP2
SCHEMBL17401636 0.81 ENPP2 (0.46) ENPP2
SCHEMBL17401562 0.80 ENPP2 (0.59) ENPP2
SCHEMBL17401707 0.75 FYN (0.43) —
SCHEMBL17401529 0.68 ENPP2 (0.73) ENPP2
SCHEMBL17401525 0.68 ENPP2 (0.73) ENPP2
SCHEMBL17401576 0.67 ENPP2 (0.60) ENPP2
SCHEMBL17401586 0.67 ENPP2 (0.60) ENPP2
SCHEMBL17401437 0.66 ENPP2 (0.77) ENPP2

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-20160002247-A1 8-SUBSTITUTED IMIDAZOPYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN INHIBITORY ACTIVITY THE UNIVERSITY OF TOKYO (JP) 2016-01-07 — — 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-20160002247-A1 8-SUBSTITUTED IMIDAZOPYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN INHIBITORY ACTIVITY ENPP2, UACA, IAPP P2RY14 3258/4885PPARA 4743/4885VNN1 2796/4885

“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.

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