SCHEMBL17876594

SCHEMBL17876594

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.58
CYP2C19 P33261 5/20 0.58
CYP3A4 P08684 3/20 0.58
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CCR2 P41597 2/20 0.37
P2RX7 Q99572 1/20 0.37
ENPP2 Q13822 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
MDM2 Q00987 1/20 0.36
NAMPT P43490 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MAOA P21397 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL17876508 0.92 CYP2C9 (0.58) CYP2C9CYP2C19CYP3A4CA1CA2
SCHEMBL17876437 0.92 CYP2C9 (0.60) CYP2C9CYP2C19CYP3A4CA1CA2
SCHEMBL17876590 0.92 CYP2C9 (0.58) CYP2C9CYP2C19CYP3A4CCR2P2RX7
SCHEMBL17876700 0.92 CYP2C9 (0.53) CYP2C9CYP2C19CYP3A4CA1CA2
SCHEMBL17876561 0.92 CYP2C9 (0.61) CYP2C9CYP2C19CYP3A4CCR2P2RX7
SCHEMBL16447562 0.91 CYP2C9 (0.69) CYP2C9CYP2C19CYP3A4ENPP2RXFP1
SCHEMBL16447598 0.91 CYP2C9 (0.61) CYP2C9CYP2C19CYP3A4CA1CA2
SCHEMBL17876634 0.90 CYP2C9 (0.61) CYP2C9CYP2C19CYP3A4PIK3CA
SCHEMBL17876569 0.90 CYP2C9 (0.58) CYP2C9CYP2C19CYP3A4CCR2
SCHEMBL17876664 0.90 CYP2C9 (0.71) CYP2C9CYP2C19CYP3A4

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.