SCHEMBL17876504

SCHEMBL17876504

CCc1nc2c(C(F)(F)F)cccn2c1C(=O)NCc1ccc(N2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.54
CYP2C19 P33261 5/20 0.53
CYP3A4 P08684 3/20 0.53
ITGA4 P13612 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
SCD O00767 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
DCTPP1 Q9H773 1/20 0.40
EPHX2 P34913 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 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
SCHEMBL17876670 0.94 CYP2C9 (0.61) CYP2C9CYP2C19CYP3A4ACE2MAPT
SCHEMBL17876522 0.94 CYP2C9 (0.53) CYP2C9CYP2C19CYP3A4ACE2MAPT
SCHEMBL17876698 0.94 CYP2C9 (0.53) CYP2C9CYP2C19CYP3A4ACE2MAPT
SCHEMBL17876689 0.93 CYP2C9 (0.60) CYP2C9CYP2C19CYP3A4ACE2SMN1; SMN2
SCHEMBL12295455 0.92 CYP2C9 (0.51) CYP2C9CYP2C19CYP3A4ACE2
SCHEMBL17876533 0.91 CYP2C9 (0.57) CYP2C9CYP2C19CYP3A4MAPTSMN1; SMN2
SCHEMBL17876541 0.91 CYP2C9 (0.58) CYP2C9CYP2C19CYP3A4SCDEPHX2
SCHEMBL17876686 0.91 CYP2C9 (0.67) CYP2C9CYP2C19CYP3A4SMN1; SMN2EPHX2
SCHEMBL17876490 0.88 CYP2C9 (0.57) CYP2C9CYP2C19CYP3A4ITGA4ACE2
SCHEMBL23655952 0.88 CYP2C9 (0.53) CYP2C9CYP2C19CYP3A4ACE2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027615-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2021-07-21 EP disclosed
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.