SCHEMBL1960977

SCHEMBL1960977

CCN1C=Cc2[nH]c(-c3ccccc3)nc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
ADORA1 P30542 1/20 0.39
THPO P40225 1/20 0.39
PMP22 Q01453 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PIN1 Q13526 1/20 0.36
ADORA2A P29274 3/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 2/20 0.34

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
SCHEMBL1412007 0.86 MAPK14 (0.34) KDM4EALDH1A1CYP1A2HPGDCYP2C9
SCHEMBL1958386 0.86 KDM4E (0.34) ADORA2BKDM4EALDH1A1HSD17B10CYP1A2
SCHEMBL1411950 0.85 CXCR2 (0.40) KDM4EALDH1A1CYP1A2HPGDTSHR
SCHEMBL1961158 0.83 ADORA2A (0.42) ADORA2BKDM4EALDH1A1HSD17B10CYP1A2
SCHEMBL6432296 0.83 PRCP (0.36) ADORA2BKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1961067 0.82 CLPP (0.37) ADORA2BCYP1A2CYP3A4ADORA1PIN1
SCHEMBL1962569 0.82 PIN1 (0.35) ADORA2BKDM4EALDH1A1HSD17B10CYP1A2
SCHEMBL1959645 0.82 NPC1 (0.40) KDM4EALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL2348028 0.81 CXCR2 (0.39) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL1959716 0.81 CXCR2 (0.39) KDM4EALDH1A1HSD17B10CYP1A2CYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ADORA2B 2477/4885KDM4E 519/4885ALDH1A1 2022/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE ADORA2B 2086/4885KDM4E 782/4885ALDH1A1 2105/4885

“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.