SCHEMBL2392658

SCHEMBL2392658

N#Cc1cc(Cl)cc(Oc2c(Br)ccc(Cn3cc(C#N)c(=O)[nH]c3=O)c2F)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
KCNH2 Q12809 2/20 0.41
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
VEGFA P15692 1/20 0.31
EPAS1 Q99814 1/20 0.31

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
SCHEMBL2390253 0.92 CYP3A4 (0.49) CYP3A4KCNH2CYP2C19CYP2C9KMT2A
SCHEMBL2390579 0.92 CYP3A4 (0.49) CYP3A4KCNH2CYP2C19CYP2C9KMT2A
SCHEMBL2392390 0.90 CYP3A4 (0.54) CYP3A4KCNH2CYP2C19CYP2C9
SCHEMBL2391968 0.90 CYP3A4 (0.48) CYP3A4KCNH2CYP2C19CYP2C9KMT2A
SCHEMBL2391778 0.90 CYP3A4 (0.50) CYP3A4KCNH2CYP2C19CYP2C9KMT2A
SCHEMBL2390454 0.90 CYP3A4 (0.47) CYP3A4KCNH2CYP2C19CYP2C9KMT2A
SCHEMBL2391014 0.89 CYP3A4 (0.49) CYP3A4KCNH2CYP2C19CYP2C9KMT2A
SCHEMBL2388406 0.89 KCNH2 (0.48) CYP3A4KCNH2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL2387387 0.87 CYP3A4 (0.43) CYP3A4KCNH2CYP2C19CYP2C9KMT2A
SCHEMBL2391785 0.85 CYP3A4 (0.52) CYP3A4KCNH2CYP2C19CYP2C9SLC22A12

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-2155692-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-06-17 EP claimed
US-8026362-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-27 US claimed
EP-2155692-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. Hoffmann-Roche AG (CH) 2010-02-24 EP claimed
US-20090076045-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2009-03-19 US claimed
WO-2008145562-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-12-04 WO claimed
EP-2155692-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-06-17 EP 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-20090076045-A1 Non-nucleoside reverse transcriptase inhibitors HPRT1, XDH, REV1 CYP3A4 960/4885KCNH2 3855/4885CYP2C19 1207/4885

“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.