SCHEMBL1959705

SCHEMBL1959705

FC(F)(F)c1ccc(CN2C=Cc3[nH]c(-c4ccccc4)nc3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.43
CLPP Q16740 1/20 0.40
NPBWR1 P48145 1/20 0.40
PDE2A O00408 1/20 0.40
WNT3A P56704 4/20 0.40
TNKS2 Q9H2K2 4/20 0.40
TNKS O95271 3/20 0.40
PARP1 P09874 2/20 0.40
MAPK13 O15264 2/20 0.40
RAF1 P04049 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
MAPK14 Q16539 2/20 0.40
DGAT1 O75907 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN2A Q99250 2/20 0.38
PARP14 Q460N5 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
PARP4 Q9UKK3 1/20 0.37
AXIN2 Q9Y2T1 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
SCHEMBL1960015 0.89 HDAC6 (0.39) PDE2ATNKS2TNKSNPSR1POLB
SCHEMBL1411950 0.88 CXCR2 (0.40) CXCR2CLPPGAA
SCHEMBL1958150 0.88 CXCR2 (0.43) CXCR2NPBWR1MAPK13RAF1MAPK12
SCHEMBL1959677 0.87 CYP11B1 (0.38) CLPPTNKS2TNKSMAPK13MAPK12
SCHEMBL1959716 0.86 CXCR2 (0.39) CXCR2CLPPTNKS2TNKSMAPK13
SCHEMBL2348028 0.86 CXCR2 (0.39) CXCR2MAPK13RAF1MAPK12MAPK11
SCHEMBL1960953 0.86 HCRTR1 (0.38) PDE2AWNT3ATNKS2
Hydrochloric Acid SCHEMBL1960821 0.85 CXCR2 (0.38) CXCR2CLPPTNKS2TNKSMAPK13
SCHEMBL1961127 0.85 CXCR2 (0.36) CXCR2GAA
SCHEMBL1962577 0.85 MAPK13 (0.39) CXCR2CLPPTNKS2TNKSMAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US claimed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP claimed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US claimed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US claimed
EP-1521754-A2 VIRAL INHIBITORS K.U.Leuven Research & Development (BE) 2005-04-13 EP claimed
WO-2004005286-A2 VIRAL INHIBITORS K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-01-15 WO claimed
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 1642/4885CLPP 2023/4885NPBWR1 4738/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE CXCR2 1546/4885CLPP 1682/4885NPBWR1 4433/4885

“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.