SCHEMBL1961158

SCHEMBL1961158

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.42
ADORA2B P29275 6/20 0.42
GRM5 P41594 1/20 0.35
MAPT P10636 1/20 0.34
CYP3A4 P08684 2/20 0.33
GRIN2B Q13224 2/20 0.33
PIN1 Q13526 1/20 0.33
KDM4E B2RXH2 3/20 0.32
CYP1A2 P05177 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32
BLM P54132 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL1960625 0.85 ACHE (0.37) ADORA2AADORA2BCYP3A4GRIN2BPIN1
SCHEMBL1960977 0.83 ADORA2B (0.39) ADORA2AADORA2BMAPTCYP3A4PIN1
SCHEMBL6432296 0.82 PRCP (0.36) ADORA2AADORA2BPIN1KDM4EHSD17B10
SCHEMBL1958386 0.81 KDM4E (0.34) ADORA2AADORA2BMAPTCYP3A4GRIN2B
SCHEMBL1958694 0.81 SIGMAR1 (0.37) PIN1
SCHEMBL1411950 0.80 CXCR2 (0.40) GRIN2BKDM4ECYP1A2ALDH1A1ADORA3
SCHEMBL1959740 0.80 ACHE (0.41) ALDH1A1
SCHEMBL1959385 0.80 SIGMAR1 (0.36) PIN1
SCHEMBL1962569 0.77 PIN1 (0.35) ADORA2BMAPTCYP3A4GRIN2BPIN1
SCHEMBL1959645 0.77 NPC1 (0.40) CYP3A4PIN1KDM4ECYP1A2ALDH1A1

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 ADORA2A 2860/4885ADORA2B 2477/4885GRM5 1773/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE ADORA2A 3029/4885ADORA2B 2086/4885GRM5 2432/4885

“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.