SCHEMBL2348028

SCHEMBL2348028

C1=CN(Cc2ccncc2)Cc2nc(-c3ccccc3)[nH]c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.39
MAPK13 O15264 11/20 0.38
MAPK12 P53778 11/20 0.38
MAPK11 Q15759 11/20 0.38
MAPK14 Q16539 11/20 0.38
RAF1 P04049 8/20 0.38
MAPK9 P45984 1/20 0.38
BRAF P15056 3/20 0.37
HCRTR1 O43613 1/20 0.36
GSK3B P49841 1/20 0.36
GCGR P47871 3/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PKN1 Q16512 1/20 0.34
PKN2 Q16513 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL1411950 0.92 CXCR2 (0.40) CXCR2ALDH1A1KDM4EHPGDALOX15
SCHEMBL1959716 0.88 CXCR2 (0.39) CXCR2MAPK13MAPK12MAPK11MAPK14
SCHEMBL1960595 0.87 ADRA2C (0.40) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1959645 0.87 NPC1 (0.40) ALDH1A1KDM4EHPGD
SCHEMBL1959677 0.87 CYP11B1 (0.38) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL1962577 0.87 MAPK13 (0.39) CXCR2MAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL1960821 0.87 CXCR2 (0.38) CXCR2MAPK13MAPK12MAPK11MAPK14
SCHEMBL1961127 0.87 CXCR2 (0.36) CXCR2BRAFALDH1A1KDM4EALOX15
SCHEMBL1959705 0.86 CXCR2 (0.43) CXCR2MAPK13MAPK12MAPK11MAPK14
SCHEMBL1961423 0.86 GCGR (0.38) CXCR2MAPK13MAPK12MAPK11MAPK14

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 claimed
US-7737162-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2010-06-15 US 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
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 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 (1 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 1642/4885MAPK13 1570/4885MAPK12 1659/4885

“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.