SCHEMBL2347186

SCHEMBL2347186

CN(C)c1cccc(-c2nc3c([nH]2)C=CN(Cc2ccc(Br)cc2)C3)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.33
NOX1 Q9Y5S8 1/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
AXL P30530 1/20 0.31
MERTK Q12866 1/20 0.31
NOTUM Q6P988 1/20 0.31
MET P08581 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL1959852 0.88 HRH1 (0.38) SMN1; SMN2
SCHEMBL1959009 0.87 PTGES (0.39) SMN1; SMN2
SCHEMBL1958997 0.86 PTGES (0.39)
SCHEMBL1959832 0.85 ACP1 (0.35)
SCHEMBL2344753 0.85 CHRNB4 (0.31)
SCHEMBL1961667 0.84 PIN1 (0.40) AURKASMN1; SMN2
SCHEMBL1962577 0.84 MAPK13 (0.39) GRIN2B
SCHEMBL1961366 0.82 CXCR2 (0.41) SMN1; SMN2GRIN1GRIN2B
SCHEMBL1959224 0.82 CLPP (0.31)
SCHEMBL1959940 0.82 ACHE (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332938-B1 Viral inhibitors LEUVEN K U RES & DEV (BE) 2014-10-01 EP disclosed
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US disclosed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP disclosed
US-7737162-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2010-06-15 US disclosed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US disclosed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US disclosed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP disclosed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 WO 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 (2 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-20100004281-A1 VIRAL INHIBITORS ZC3HAV1, MAVS, HAVCR2 AURKA 1672/4885SMN1; SMN2 3179/4885NOX1 1029/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE AURKA 1594/4885SMN1; SMN2 3260/4885NOX1 924/4885

“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.