SCHEMBL1959784

SCHEMBL1959784

C1=CN(Cc2ccc3ccccc3c2)Cc2nc(-c3ccccc3)[nH]c21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
CLPP Q16740 1/20 0.36
DAO P14920 1/20 0.36
ACHE P22303 2/20 0.36
CYP19A1 P11511 1/20 0.35
PKM P14618 1/20 0.34
MMP13 P45452 1/20 0.33
CHKA P35790 1/20 0.33
HTR3A P46098 1/20 0.33
CHEK2 O96017 1/20 0.33
PDE2A O00408 1/20 0.33
OPRL1 P41146 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL1411759 0.88 CLPP (0.38) KMT2ACLPPCHEK2MEN1
SCHEMBL1411950 0.88 CXCR2 (0.40) CLPP
SCHEMBL1960190 0.86 PGR (0.42) KMT2ACLPPMEN1
SCHEMBL1959716 0.86 CXCR2 (0.39) KMT2ACLPPMEN1
SCHEMBL1959677 0.85 CYP11B1 (0.38) KMT2ACLPPMEN1
SCHEMBL1962577 0.85 MAPK13 (0.39) CLPP
SCHEMBL1959645 0.85 NPC1 (0.40) KMT2ACLPPMEN1
Hydrochloric Acid SCHEMBL1960821 0.85 CXCR2 (0.38) KMT2ACLPPMEN1
SCHEMBL1961127 0.85 CXCR2 (0.36)
SCHEMBL1959940 0.84 ACHE (0.35) KMT2ACLPPACHECHEK2MEN1

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 15 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-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 KMT2A 2253/4885CLPP 2023/4885DAO 3141/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE KMT2A 2178/4885CLPP 1682/4885DAO 2549/4885

“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.