SCHEMBL2951259

SCHEMBL2951259

Cc1cc(C(=O)NCc2ccncc2)ccc1NC(=O)Cc1ccc(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.42
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPK14 Q16539 6/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
MMP13 P45452 2/20 0.38
MMP2 P08253 1/20 0.38
STAT3 P40763 1/20 0.38
HTT P42858 1/20 0.38
RORC P51449 1/20 0.38
LMNA P02545 2/20 0.36
WDR5 P61964 1/20 0.36
NAMPT P43490 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL2944026 0.92 RORC (0.47) CYP3A4CYP2C9CYP2C19MAPK14SMN1; SMN2
SCHEMBL2950561 0.88 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19MAPK14MMP13
SCHEMBL2950211 0.88 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19MEN1KMT2A
SCHEMBL2942764 0.88 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19SMN1; SMN2RORC
SCHEMBL2950962 0.87 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19RORCNAMPT
SCHEMBL2950967 0.87 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19RORCNAMPT
SCHEMBL2946687 0.86 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19MEN1KMT2A
SCHEMBL2947697 0.86 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL2945635 0.86 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19MAPK14RORC
SCHEMBL2638917 0.86 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940782-B1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-03-11 EP claimed
EP-1940782-A1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INIHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-09 EP claimed
WO-2007045572-A1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INIHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 WO claimed
US-7754919-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2010-07-13 US disclosed
EP-1940782-B1 N-PHENYL PHENYLACETAMIDE NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-03-11 EP disclosed
US-20070088015-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2007-04-19 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-20070088015-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, QTRT1, REV1 CYP3A4 889/4885CYP2C9 1726/4885CYP2C19 1432/4885

“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.