SCHEMBL1962298

SCHEMBL1962298

Cc1ccccc1-c1nc2c([nH]1)C=CN(Cc1ccc(Br)cc1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.37
PTGES O14684 3/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
ACP1 P24666 2/20 0.34
CLPP Q16740 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 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
SCHEMBL2345294 0.89 CXCR2 (0.39) CXCR2PTGESALDH1A1HPGDGALR3
SCHEMBL1961441 0.88 PTGES (0.40) CXCR2PTGESNPC1RAB9AALDH1A1
SCHEMBL1958382 0.88 CXCR2 (0.38) CXCR2PTGESNPC1RAB9ASMN1; SMN2
SCHEMBL1961783 0.86 DRD4 (0.33) PTGESHTTCLPPCA12CA9
SCHEMBL1962577 0.84 MAPK13 (0.39) CXCR2ALDH1A1GALR3NR2F2CLPP
SCHEMBL1958858 0.82 GAA (0.34) ALDH1A1KDM4ELMNAGAA
SCHEMBL1960349 0.81 MEN1 (0.38) CXCR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1959009 0.81 PTGES (0.39) PTGESNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1958963 0.80 OPRK1 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL1959224 0.80 CLPP (0.31) CLPP

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
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 CXCR2 1642/4885PTGES 1940/4885NPC1 607/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE CXCR2 1546/4885PTGES 2133/4885NPC1 562/4885

“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.