SCHEMBL1961658

SCHEMBL1961658

Fc1cccc(F)c1-c1nc2c([nH]1)C=CN(Cc1ccccc1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.38
CLPP Q16740 4/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
PTGES O14684 1/20 0.33
JAK2 O60674 1/20 0.33
POLB P06746 1/20 0.33
ADORA2B P29275 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
ALPL P05186 1/20 0.32
GAA P10253 1/20 0.32
MAPK14 Q16539 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRA5 P31644 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
SCHEMBL1963290 0.92 CSNK1D (0.37) CXCR2CLPPKDM4EALDH1A1MAPT
SCHEMBL1961662 0.88 ADORA2B (0.34) CXCR2CLPPKDM4EHPGDALDH1A1
SCHEMBL1959767 0.88 CXCR2 (0.46) CXCR2CLPPMEN1KMT2ASMN1; SMN2
SCHEMBL1958832 0.88 ADORA2B (0.34) KDM4EALDH1A1POLBADORA2BMAPK14
SCHEMBL1960667 0.87 CCR2 (0.38) CLPPMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL1411950 0.85 CXCR2 (0.40) CXCR2CLPPKDM4EHPGDALDH1A1
SCHEMBL1959936 0.83 ADORA2B (0.32) ADORA2BMAPK14
SCHEMBL1959677 0.82 CYP11B1 (0.38) CLPPMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL1961115 0.81 CLPP (0.41) CLPPMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1960354 0.81 KDM4E (0.36) CLPPSMN1; SMN2KDM4EADORA2BMAPK14

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 14 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
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 2023/4885MEN1 3767/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE CXCR2 1546/4885CLPP 1682/4885MEN1 2547/4885

“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.