SCHEMBL1542671

SCHEMBL1542671

COc1c(C(=O)NCc2cncn2C)cc(-c2ccc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.44
ITK Q08881 4/20 0.37
INSR P06213 2/20 0.37
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
GSK3B P49841 1/20 0.37
ABL1 P00519 1/20 0.37
HPGDS O60760 1/20 0.35
EZH2 Q15910 1/20 0.34
GPR142 Q7Z601 3/20 0.34
ELANE P08246 1/20 0.34
BRD4 O60885 1/20 0.34
NTRK1 P04629 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL1542596 0.83 CYP3A4 (0.49) CYP3A4GSK3BELANE
SCHEMBL1542439 0.82 CYP3A4 (0.51) CYP3A4BRD4
SCHEMBL1542823 0.78 CYP3A4 (0.50) CYP3A4GSK3BEZH2
SCHEMBL1543036 0.78 CYP3A4 (0.48) CYP3A4
SCHEMBL2127832 0.78 CYP3A4 (0.49) CYP3A4
SCHEMBL1542669 0.77 CYP3A4 (0.54) CYP3A4
SCHEMBL1542545 0.76 SMYD2 (0.49) CYP3A4
SCHEMBL1542653 0.76 CYP3A4 (0.47) CYP3A4
SCHEMBL1542824 0.75 CYP3A4 (0.52) CYP3A4ABL1
SCHEMBL1542728 0.74 L3MBTL1 (0.54) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP claimed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP claimed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO claimed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US claimed

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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B CYP3A4 528/4885ITK 4332/4885INSR 1066/4885

“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.