SCHEMBL17876503

SCHEMBL17876503

CCc1nc2c(C)cccn2c1C(=O)NCc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.64
CYP2C19 P33261 5/20 0.64
CYP3A4 P08684 3/20 0.64
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
THRB P10828 1/20 0.43
ENPP2 Q13822 2/20 0.43

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
SCHEMBL17876462 0.93 CYP2C9 (0.54) CYP2C9CYP2C19CYP3A4ALDH1A1MAPT
SCHEMBL17876461 0.93 CYP2C9 (0.54) CYP2C9CYP2C19CYP3A4ALDH1A1MAPT
SCHEMBL17876708 0.92 CYP2C9 (0.69) CYP2C9CYP2C19CYP3A4ALDH1A1LMNA
SCHEMBL12295712 0.92 CYP2C9 (0.65) CYP2C9CYP2C19CYP3A4ALDH1A1MAPT
SCHEMBL17876464 0.91 CYP2C9 (0.61) CYP2C9CYP2C19CYP3A4LMNATHRB
SCHEMBL14761171 0.91 CYP2C9 (0.64) CYP2C9CYP2C19CYP3A4ALDH1A1MAPT
SCHEMBL17876463 0.90 CYP2C9 (0.53) CYP2C9CYP2C19CYP3A4THRB
SCHEMBL16447380 0.90 CYP2C9 (0.68) CYP2C9CYP2C19CYP3A4ALDH1A1LMNA
SCHEMBL17876458 0.89 THRB (0.57) CYP2C9CYP2C19CYP3A4ALDH1A1LMNA
SCHEMBL12295465 0.89 CYP2C9 (0.62) CYP2C9CYP2C19CYP3A4LMNATP53

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.