SCHEMBL1960208

SCHEMBL1960208

Clc1ccc(CN2C=Cc3[nH]c(-c4cccc(Br)c4)nc3C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.36
MAPK14 Q16539 1/20 0.36
HRH1 P35367 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
BACE1 P56817 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
DCUN1D1 Q96GG9 2/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
MPI P34949 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BRD4 O60885 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
PTGES O14684 1/20 0.33
MEN1 O00255 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
SCHEMBL1959852 0.94 HRH1 (0.38) GCGRMAPK14HRH1HRH4CNR1
SCHEMBL1958373 0.91 CNR1 (0.37) HRH1HRH4CNR1CNR2ALDH1A1
SCHEMBL1958375 0.91 HRH1 (0.36) GCGRMAPK14HRH1HRH4CNR1
SCHEMBL1961361 0.90 CXCR2 (0.40) HRH1CNR1CNR2BACE1ALDH1A1
SCHEMBL1958997 0.89 PTGES (0.39) HRH1CNR1CNR2BACE1ALDH1A1
SCHEMBL1961668 0.87 AURKA (0.35) GCGRMAPK14ALDH1A1GAAMAPT
SCHEMBL1959716 0.87 CXCR2 (0.39) GCGRMAPK14ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL1960821 0.85 CXCR2 (0.38) GCGRMAPK14ALDH1A1HPGDHSD17B10
SCHEMBL1962141 0.85 SMN1; SMN2 (0.39) CNR1CNR2ALDH1A1HPGDMAPT
SCHEMBL1959009 0.84 PTGES (0.39) ALDH1A1HPGDGAAALOX12MAPT

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
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 US claimed
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 GCGR 3127/4885MAPK14 1909/4885HRH1 1492/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE GCGR 2566/4885MAPK14 1747/4885HRH1 907/4885

“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.