SCHEMBL3307667

SCHEMBL3307667

N#CCN1C(=O)CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.45
HRH3 Q9Y5N1 1/20 0.44
CYP11B2 P19099 5/20 0.44
CYP11B1 P15538 5/20 0.44
CYP1A2 P05177 2/20 0.44
HDAC6 Q9UBN7 3/20 0.43
HDAC1 Q13547 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP2 O95551 1/20 0.41
ATAD2 Q6PL18 1/20 0.40
SCN9A Q15858 1/20 0.36
BRD4 O60885 1/20 0.36
NOTUM Q6P988 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL14865962 0.84 CYP11B1 (0.48) CYP11B2CYP11B1CYP1A2MAPTATAD2
SCHEMBL13273166 0.84 CYP11B2 (0.60) KIF11HRH3CYP11B2CYP11B1CYP1A2
SCHEMBL3309660 0.82 KIF11 (0.45) KIF11HRH3CYP11B2CYP11B1CYP1A2
SCHEMBL3306413 0.81 KIF11 (0.44) KIF11HRH3CYP11B2CYP11B1CYP1A2
SCHEMBL3315684 0.80 HDAC6 (0.44) KIF11HRH3CYP11B2CYP11B1CYP1A2
SCHEMBL3310395 0.80 KIF11 (0.43) KIF11HRH3CYP11B2CYP11B1CYP1A2
SCHEMBL3310122 0.79 BRD4 (0.47) KIF11HRH3CYP11B2CYP11B1CYP1A2
SCHEMBL3311164 0.79 S1PR1 (0.46) KIF11HRH3CYP11B2CYP11B1CYP1A2
SCHEMBL14868039 0.79 BRD4 (0.43) KIF11HRH3CYP11B2CYP11B1CYP1A2
SCHEMBL13330272 0.78 HSP90AA1 (0.53) CYP11B2CYP11B1CYP1A2HDAC6HDAC1

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
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-18 US claimed
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8952007-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
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-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
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-18 US disclosed
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US 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 3077/4885HRH3 356/4885CYP11B2 1716/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E KIF11 3305/4885HRH3 410/4885CYP11B2 1629/4885

“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.