SCHEMBL1960359

SCHEMBL1960359

CCc1nc2c([nH]1)C=CN(Cc1ccc(Br)cc1)C2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
CLPP Q16740 1/20 0.32
GALR3 O60755 1/20 0.31
NR2F2 P24468 1/20 0.31
TYMS P04818 1/20 0.31
HPGD P15428 1/20 0.31
CCNE2 O96020 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL1961887 0.84 CLPP (0.39) NPC1CLPPGALR3NR2F2HPGD
SCHEMBL1959835 0.83 CLPP (0.38) NPC1CLPPHPGDKDM4EALDH1A1
SCHEMBL1959748 0.82 CLPP (0.37) CLPPKDM4EALDH1A1
SCHEMBL1962303 0.82 RAB9A (0.44) NPC1CLPPHPGDKDM4EALDH1A1
SCHEMBL1962289 0.81 NPC1 (0.38) NPC1CLPPHPGDKDM4EALDH1A1
SCHEMBL1958858 0.79 GAA (0.34) KDM4EALDH1A1
SCHEMBL1959224 0.78 CLPP (0.31) CLPP
SCHEMBL1962577 0.78 MAPK13 (0.39) CLPPGALR3NR2F2KDM4EALDH1A1
SCHEMBL1961668 0.77 AURKA (0.35) CLPPALDH1A1
SCHEMBL1961423 0.77 GCGR (0.38) CLPPHPGDKDM4EALDH1A1

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 9 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
EP-2332938-A1 Viral inhibitors K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-06-15 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 NPC1 607/4885CLPP 2023/4885GALR3 4543/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE NPC1 562/4885CLPP 1682/4885GALR3 4330/4885

“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.