SCHEMBL1958997

SCHEMBL1958997

Clc1cccc(-c2nc3c([nH]2)C=CN(Cc2ccc(Br)cc2)C3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.39
CXCR2 P25025 1/20 0.38
PIN1 Q13526 4/20 0.37
HRH1 P35367 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
GAA P10253 3/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
ACP1 P24666 1/20 0.35
BACE1 P56817 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MPI P34949 1/20 0.34
GFER P55789 1/20 0.34
IDO1 P14902 1/20 0.34
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL1961361 0.92 CXCR2 (0.40) CXCR2PIN1HRH1CNR1CNR2
SCHEMBL1959852 0.91 HRH1 (0.38) HRH1CNR1CNR2GAAALDH1A1
SCHEMBL1960208 0.89 GCGR (0.36) PTGESHRH1CNR1CNR2GAA
SCHEMBL1959009 0.88 PTGES (0.39) PTGESPIN1GAAACP1ALDH1A1
SCHEMBL2344753 0.88 CHRNB4 (0.31)
SCHEMBL1959832 0.88 ACP1 (0.35) PIN1GAAMGAMSIMGAM2
SCHEMBL1962577 0.88 MAPK13 (0.39) CXCR2GAAALDH1A1KDM4EIDO1
SCHEMBL1961668 0.87 AURKA (0.35) CXCR2GAAMGAMSIMGAM2
SCHEMBL2347186 0.86 AURKA (0.39)
SCHEMBL1961366 0.86 CXCR2 (0.41) CXCR2PIN1HRH1CNR1CNR2

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 12 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-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 PTGES 1940/4885CXCR2 1642/4885PIN1 246/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE PTGES 2133/4885CXCR2 1546/4885PIN1 63/4885

“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.