SCHEMBL1960975

SCHEMBL1960975

CCn1ccc2nc(-c3ccccc3)nc-2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR1H3 Q13133 4/20 0.40
NR1H2 P55055 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 4/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE5A O76074 1/20 0.38
HPGDS O60760 1/20 0.38
MEN1 O00255 2/20 0.38
ADORA2A P29274 5/20 0.37
ADORA1 P30542 4/20 0.37

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
SCHEMBL1958384 0.83 NR1H3 (0.38) L3MBTL1NR1H3NR1H2NPC1RAB9A
SCHEMBL1411948 0.81 HPGDS (0.54) L3MBTL1CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL1961157 0.80 NPC1 (0.38) L3MBTL1NR1H3NR1H2NPC1RAB9A
SCHEMBL6432294 0.79 ADORA1 (0.47) L3MBTL1CYP2C19NR1H3NR1H2NPC1
SCHEMBL1961068 0.79 CYP11B1 (0.50) L3MBTL1CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL1962567 0.79 ADORA3 (0.36) L3MBTL1CYP2C19NR1H3NR1H2NPC1
SCHEMBL1961064 0.79 CYP11B1 (0.47) L3MBTL1CYP3A4CYP2C9CYP2C19NR1H3
SCHEMBL1959643 0.79 SMN1; SMN2 (0.52) L3MBTL1CYP3A4CYP2C9CYP2C19NR1H3
SCHEMBL12767272 0.77 ACHE (0.50) L3MBTL1NR1H3NR1H2NPC1RAB9A
SCHEMBL1958693 0.76 ADORA3 (0.42) L3MBTL1CYP2C19NPC1RAB9AKMT2A

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 L3MBTL1 3711/4885CYP2E1 394/4885CYP3A4 112/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE L3MBTL1 2897/4885CYP2E1 764/4885CYP3A4 211/4885

“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.