SCHEMBL1961668

SCHEMBL1961668

Clc1ccc(-c2nc3c([nH]2)C=CN(Cc2ccc(Br)cc2)C3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.35
MGAM O43451 2/20 0.35
GAA P10253 2/20 0.35
SI P14410 2/20 0.35
MGAM2 Q2M2H8 2/20 0.35
WNT3A P56704 2/20 0.33
TNKS2 Q9H2K2 2/20 0.33
CXCR2 P25025 1/20 0.33
GCGR P47871 3/20 0.32
MAPK14 Q16539 2/20 0.32
GPR183 P32249 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LSS P48449 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CLPP Q16740 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 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
SCHEMBL1958858 0.90 GAA (0.34) MGAMGAASIMGAM2WNT3A
SCHEMBL1962577 0.89 MAPK13 (0.39) GAATNKS2CXCR2GCGRMAPK14
SCHEMBL1961423 0.88 GCGR (0.38) AURKAWNT3ATNKS2CXCR2GCGR
SCHEMBL1959716 0.88 CXCR2 (0.39) TNKS2CXCR2GCGRMAPK14ALDH1A1
SCHEMBL1959224 0.87 CLPP (0.31) CLPP
Hydrochloric Acid SCHEMBL1960821 0.87 CXCR2 (0.38) TNKS2CXCR2GCGRMAPK14ALDH1A1
SCHEMBL1958997 0.87 PTGES (0.39) MGAMGAASIMGAM2CXCR2
SCHEMBL1960208 0.87 GCGR (0.36) GAAGCGRMAPK14ALDH1A1MAPT
SCHEMBL1959940 0.84 ACHE (0.35) GAAWNT3ATNKS2GCGRMAPK14
SCHEMBL1959852 0.84 HRH1 (0.38) GAAGCGRMAPK14ALDH1A1MAPT

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 13 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-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 AURKA 1672/4885MGAM 3637/4885GAA 864/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE AURKA 1594/4885MGAM 2122/4885GAA 79/4885

“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.