SCHEMBL1962567

SCHEMBL1962567

CC(C)=CCn1ccc2nc(-c3ccccc3)nc-2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.36
ADORA2A P29274 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA1 P30542 3/20 0.35
KMT2A Q03164 6/20 0.34
MEN1 O00255 4/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NTSR1 P30989 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1960975 0.79 L3MBTL1 (0.41) ADORA3ADORA2AL3MBTL1ADORA1KMT2A
SCHEMBL1960086 0.77 LMNA (0.37) ADORA3L3MBTL1KMT2AMEN1NPC1
SCHEMBL1960083 0.77 LMNA (0.37) ADORA3L3MBTL1KMT2AMEN1NPC1
SCHEMBL1411948 0.74 HPGDS (0.54) ADORA3ADORA2AL3MBTL1ADORA1KMT2A
SCHEMBL1961157 0.72 NPC1 (0.38) ADORA3ADORA2AL3MBTL1ADORA1KMT2A
SCHEMBL1958384 0.72 NR1H3 (0.38) ADORA3ADORA2AL3MBTL1ADORA1KMT2A
SCHEMBL1960624 0.72 PDE10A (0.40) ADORA3L3MBTL1ADORA1KMT2AMEN1
SCHEMBL1961068 0.72 CYP11B1 (0.50) ADORA3ADORA2AL3MBTL1ADORA1NR1H2
SCHEMBL6432294 0.72 ADORA1 (0.47) ADORA3ADORA2AL3MBTL1ADORA1KMT2A
SCHEMBL1961064 0.71 CYP11B1 (0.47) L3MBTL1KMT2AMEN1NR1H2NR1H3

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 ADORA3 1772/4885ADORA2A 2860/4885L3MBTL1 3711/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE ADORA3 1491/4885ADORA2A 3029/4885L3MBTL1 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.