SCHEMBL1958150

SCHEMBL1958150

FC(F)(F)c1cccc(CN2C=Cc3[nH]c(-c4ccccc4)nc3C2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.43
NPBWR1 P48145 1/20 0.40
MAPK13 O15264 1/20 0.40
RAF1 P04049 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
CNR2 P34972 6/20 0.40
SCN2A Q99250 1/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
DGAT1 O75907 1/20 0.39
KCNH2 Q12809 1/20 0.39
PIN1 Q13526 1/20 0.39
CNR1 P21554 3/20 0.39
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL1959705 0.88 CXCR2 (0.43) CXCR2NPBWR1MAPK13RAF1MAPK9
SCHEMBL1961115 0.86 CLPP (0.41) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL1411950 0.85 CXCR2 (0.40) CXCR2KDM4EALDH1A1GAAADORA3
SCHEMBL1961366 0.85 CXCR2 (0.41) CXCR2CNR2SCN2AKDM4EALDH1A1
SCHEMBL1960312 0.84 TP53 (0.42) MAPK14POLBKDM4EALDH1A1GAA
SCHEMBL1958816 0.84 SIGMAR1 (0.42) CXCR2MAPK13RAF1MAPK12MAPK11
SCHEMBL1962141 0.84 SMN1; SMN2 (0.39) CXCR2CNR2POLBKDM4EALDH1A1
SCHEMBL1959784 0.81 KMT2A (0.40)
SCHEMBL1962575 0.81 ALDH1A1 (0.44) CXCR2ALDH1A1PIN1ADORA2A
SCHEMBL1958701 0.81 SIGMAR1 (0.44) MAPK13RAF1MAPK12MAPK11MAPK14

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 CXCR2 1642/4885NPBWR1 4738/4885MAPK13 1570/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE CXCR2 1546/4885NPBWR1 4433/4885MAPK13 2244/4885

“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.