SCHEMBL1959601

SCHEMBL1959601

c1ccc(CCn2ccc3nc(Cc4ccccc4)nc-3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
HRH4 Q9H3N8 2/20 0.38
HTR6 P50406 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
ADORA2B P29275 1/20 0.35
HMOX1 P09601 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6432294 0.83 ADORA1 (0.47) LTA4HCYP1A2CYP2C19KMT2APOLB
SCHEMBL1961659 0.77 LTA4H (0.36) LTA4HHRH4KMT2APOLBATM
SCHEMBL1961885 0.77 CYP11B1 (0.40) LTA4HCYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL1958693 0.75 ADORA3 (0.42) LTA4HCYP1A2CYP2C19KMT2AADORA2A
SCHEMBL1959384 0.74 ADORA3 (0.41) LTA4HCYP1A2CYP2C19ADORA2AADORA1
SCHEMBL1959834 0.71 CYP11B1 (0.39) LTA4HCYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL1959746 0.69 HMOX1 (0.39) CYP2C19KMT2AADORA2AADORA1ADORA2B
SCHEMBL1962391 0.69 CYP11B1 (0.38) CYP2C19KMT2AADORA2AADORA1ADORA2B
SCHEMBL1680524 0.68 DRD2 (0.43) HRH3KMT2APOLBATMHMOX1
SCHEMBL2614741 0.68 CALM1 (0.61) HRH4HTR6CYP1A2CYP2D6CYP3A4

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 LTA4H 3119/4885HRH4 1599/4885HTR6 2927/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE LTA4H 1739/4885HRH4 1363/4885HTR6 3905/4885

“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.