SCHEMBL3412945

SCHEMBL3412945

Cn1c(=O)cnc2ccc(-c3ccc(OC(F)(F)F)cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 7/20 0.46
TDP2 O95551 1/20 0.42
MCHR1 Q99705 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
PIK3CB P42338 1/20 0.41
PRKDC P78527 1/20 0.41
ATM Q13315 1/20 0.41
ATR Q13535 1/20 0.41
ATRIP Q8WXE1 1/20 0.41
BRD4 O60885 1/20 0.39
SCN1A P35498 1/20 0.39
SCN4A P35499 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
MAP4K1 Q92918 1/20 0.39

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
SCHEMBL3377954 0.89 PIK3CB (0.53) PIK3CBPRKDCATMATRATRIP
SCHEMBL26004867 0.80 DYRK1A (0.55) SCN5ACA12CA9PIK3CBPRKDC
SCHEMBL3473462 0.79 SMN1; SMN2 (0.47) SCN5ATDP2MCHR1BRD4KIF11
SCHEMBL3378965 0.78 SCN5A (0.44) SCN5ATDP2MCHR1CA12CA9
SCHEMBL3346365 0.78 TDP2 (0.43) SCN5ATDP2MCHR1BRD4
SCHEMBL3472581 0.77 TDP2 (0.42) SCN5ATDP2MCHR1CA12CA9
SCHEMBL3353025 0.76 PPARG (0.45) SCN5ATDP2
SCHEMBL3376728 0.76 TDP2 (0.42) SCN5ATDP2MCHR1BRD4ATP1A1
SCHEMBL3475090 0.76 TDP2 (0.42) SCN5ATDP2MCHR1BRD4
SCHEMBL3435142 0.75 TDP2 (0.41) SCN5ATDP2MCHR1BRD4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 WO claimed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US 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-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 SCN5A 17/4885TDP2 3737/4885MCHR1 2714/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 SCN5A 17/4885TDP2 3737/4885MCHR1 2714/4885

“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.