SCHEMBL253974

SCHEMBL253974

O=c1[nH]nc2ccc(-c3ccc(F)c(F)c3)cn12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.57
PDPK1 O15530 1/20 0.49
NOTUM Q6P988 3/20 0.45
PGR P06401 4/20 0.39
TYMP P19971 1/20 0.36
TRPA1 O75762 2/20 0.36
GRM2 Q14416 1/20 0.36
IDO1 P14902 1/20 0.35
TGFBR1 P36897 1/20 0.35
MAPK14 Q16539 1/20 0.35
GRK6 P43250 1/20 0.34
CHEK1 O14757 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 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
SCHEMBL18632534 0.82 SCN5A (0.54) SCN5APDPK1NOTUMPGRGRM2
SCHEMBL18632542 0.80 SCN5A (0.61) SCN5ANOTUM
SCHEMBL18632525 0.79 SCN5A (0.51) SCN5APDPK1NOTUMPGRMKNK1
SCHEMBL18632538 0.79 SCN5A (0.57) SCN5APDPK1NOTUMGRM2CHEK1
SCHEMBL18632535 0.78 SCN5A (0.62) SCN5APDPK1NOTUMGRM2CHEK1
SCHEMBL10203097 0.76 SCN5A (0.61) SCN5ANOTUMCHEK1
SCHEMBL251575 0.76 SCN5A (0.68) SCN5ANOTUM
SCHEMBL253820 0.75 SCN5A (0.67) SCN5APDPK1NOTUMGRM2CHEK1
SCHEMBL18632514 0.75 SCN5A (0.50) SCN5APDPK1NOTUMPGRGRM2
SCHEMBL20772490 0.75 SCN5A (0.51) SCN5ANOTUMGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 US disclosed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 US disclosed
EP-2588197-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 US disclosed
WO-2012003392-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-01-05 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-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E SCN5A 37/4885PDPK1 1427/4885NOTUM 3964/4885
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators KCNJ2, KCNH2, CACNA1E SCN5A 37/4885PDPK1 1427/4885NOTUM 3964/4885

“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.