SCHEMBL17876545

SCHEMBL17876545

CCc1nc2c(OC)cccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.69
CYP2C19 P33261 5/20 0.69
CYP3A4 P08684 3/20 0.57
ALK Q9UM73 7/20 0.39
ROS1 P08922 5/20 0.39
EPHX2 P34913 1/20 0.39
SCN9A Q15858 1/20 0.39
CHRM4 P08173 2/20 0.39
CHRM2 P08172 1/20 0.38
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL17876616 0.93 CYP2C9 (0.59) CYP2C9CYP2C19CYP3A4
SCHEMBL16447602 0.93 CYP2C9 (0.66) CYP2C9CYP2C19CYP3A4ALKROS1
SCHEMBL17876664 0.91 CYP2C9 (0.71) CYP2C9CYP2C19CYP3A4EPHX2SCN9A
SCHEMBL17876646 0.91 CYP2C9 (0.71) CYP2C9CYP2C19CYP3A4EPHX2SCN9A
SCHEMBL13838235 0.91 CYP2C9 (0.71) CYP2C9CYP2C19CYP3A4EPHX2SCN9A
SCHEMBL17876569 0.91 CYP2C9 (0.58) CYP2C9CYP2C19CYP3A4PDE10A
SCHEMBL20346932 0.91 CYP2C9 (0.71) CYP2C9CYP2C19CYP3A4EPHX2SCN9A
SCHEMBL17876613 0.91 CYP2C9 (0.67) CYP2C9CYP2C19CYP3A4PDE10A
SCHEMBL17876707 0.91 CYP2C9 (0.75) CYP2C9CYP2C19CYP3A4EPHX2CHRM4
SCHEMBL17876633 0.91 CYP2C9 (0.70) CYP2C9CYP2C19CYP3A4EPHX2SCN9A

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-20160185774-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2016-06-30 US disclosed
US-20160185774-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2016-06-30 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-20160185774-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 CYP2C9 4235/4885CYP2C19 4181/4885CYP3A4 2915/4885

“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.