SCHEMBL3307653

SCHEMBL3307653

O=C1CCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2N1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.78
TDP2 O95551 2/20 0.58
CA9 Q16790 1/20 0.53
NPC1 O15118 1/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
CRBN Q96SW2 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
AKT1 P31749 1/20 0.43

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
SCHEMBL3313408 0.88 KIF11 (0.62) KIF11TDP2CA9TRPV1
SCHEMBL1396616 0.88 KIF11 (1.00) KIF11TDP2NPC1AKT1
SCHEMBL30806264 0.87 KIF11 (0.62) KIF11TDP2CA9NPC1MAPK13
SCHEMBL19186848 0.81 CA9 (0.56) KIF11CA9NPC1MAPK13MAPK12
SCHEMBL4888861 0.81 KIF11 (0.86) KIF11TDP2AKT1
SCHEMBL4888035 0.81 KIF11 (0.86) KIF11TDP2AKT1
SCHEMBL4596333 0.81 KIF11 (0.68) KIF11TDP2NPC1
SCHEMBL1903306 0.79 KIF11 (0.80) KIF11TDP2AKT1
SCHEMBL4595139 0.77 KIF11 (0.62) KIF11TDP2
SCHEMBL4596305 0.77 KIF11 (0.62) KIF11TDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952007-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
US-8664379-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 US disclosed
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-18 US disclosed
WO-2010074807-A1 3, 4-DIHYDROQUINOLIN-2 ( 1H ) -ONE DERIVATIVES AS SODIUM CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-07-01 WO disclosed
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS 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-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNH3 KIF11 3077/4885TDP2 4148/4885CA9 3215/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E KIF11 3305/4885TDP2 4182/4885CA9 2950/4885

“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.