SCHEMBL1960066

SCHEMBL1960066

COc1ccccc1CN1C=Cc2[nH]c(-c3ccccc3)nc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
CYP2D6 P10635 3/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTR7 P34969 1/20 0.36
P2RX7 Q99572 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
HTT P42858 2/20 0.35
GNAI3 P08754 1/20 0.35

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
SCHEMBL1961067 0.85 CLPP (0.37) MEN1KMT2ATNKSTNKS2CYP2D6
SCHEMBL1960588 0.84 TP53 (0.39) MEN1KMT2AKDM4EALDH1A1CYP2D6
SCHEMBL1958369 0.83 L3MBTL1 (0.39) L3MBTL1KDM4EALDH1A1CYP2D6MAPT
SCHEMBL1958120 0.83 GRIN2B (0.36) KMT2AL3MBTL1KDM4EALDH1A1TDP1
SCHEMBL1961675 0.82 CXCR2 (0.43) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL1959003 0.81 CYP19A1 (0.37) MEN1KMT2AALDH1A1TNKSTNKS2
SCHEMBL1411950 0.81 CXCR2 (0.40) KDM4EALDH1A1CYP2D6USP2HPGD
SCHEMBL1961796 0.80 KDM4E (0.39) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL1958701 0.80 SIGMAR1 (0.44) MEN1KMT2AKDM4EALDH1A1CYP2D6
SCHEMBL1960977 0.80 ADORA2B (0.39) MEN1KMT2AKDM4EALDH1A1USP2

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 MEN1 3767/4885KMT2A 2253/4885L3MBTL1 3711/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE MEN1 2547/4885KMT2A 2178/4885L3MBTL1 2897/4885

“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.