SCHEMBL1961659

SCHEMBL1961659

Fc1cccc(F)c1-c1nc2ccn(CCc3ccccc3)cc-2n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.36
KCNH2 Q12809 3/20 0.35
HRH4 Q9H3N8 1/20 0.35
KDM5A P29375 2/20 0.35
KDM5B Q9UGL1 2/20 0.35
CASR P41180 5/20 0.33
NR1I2 O75469 4/20 0.33
LMNA P02545 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
HMOX1 P09601 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 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
SCHEMBL1961657 0.86 KCNH2 (0.41) KCNH2HRH4KDM5AKDM5BLMNA
SCHEMBL6432294 0.81 ADORA1 (0.47) LTA4HCASRLMNAPOLBKMT2A
SCHEMBL1959601 0.77 LTA4H (0.45) LTA4HHRH4HMOX1POLBKMT2A
SCHEMBL1958831 0.77 KCNH2 (0.40) KCNH2HRH4KDM5BPOLB
SCHEMBL1963287 0.77 RAB9A (0.42) KCNH2KDM5AKDM5BLMNAPOLB
SCHEMBL1958693 0.73 ADORA3 (0.42) LTA4HKMT2A
SCHEMBL1959935 0.73 KCNH2 (0.39) KCNH2HRH4KDM5B
SCHEMBL1959384 0.72 ADORA3 (0.41) LTA4H
SCHEMBL1959764 0.72 KCNH2 (0.54) KCNH2KDM5AKDM5BPOLB
SCHEMBL1960665 0.72 SMN1; SMN2 (0.44) KCNH2LMNAPOLBKMT2A

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 3119/4885KCNH2 2470/4885HRH4 1599/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE LTA4H 1739/4885KCNH2 2142/4885HRH4 1363/4885

“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.