SCHEMBL960043

SCHEMBL960043

FC(F)(F)COc1ccc2nnc(-c3ccccc3)n2n1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
HPGD P15428 1/20 0.62
HSD17B10 Q99714 1/20 0.62
LRRK2 Q5S007 9/20 0.60
BRD4 O60885 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51
CREBBP Q92793 1/20 0.51
CYP1A2 P05177 1/20 0.51
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
PIM1 P11309 2/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1189406 0.77 CYP1A2 (0.52) KDM4EHPGDHSD17B10LRRK2CYP1A2
SCHEMBL2302764 0.77 KDM4E (1.00) KDM4EHPGDHSD17B10LRRK2BRD4
SCHEMBL14422615 0.76 LRRK2 (0.70) KDM4EHPGDHSD17B10LRRK2BRD4
SCHEMBL960042 0.74 KDM4E (0.63) KDM4EHPGDHSD17B10LRRK2BRD4
SCHEMBL6528913 0.74 KDM4E (0.59) KDM4EHPGDHSD17B10LRRK2BRD4
SCHEMBL5805844 0.74 KDM4E (0.55) KDM4EHPGDHSD17B10LRRK2BRD4
SCHEMBL14422636 0.73 TSHR (0.64) KDM4EHPGDHSD17B10LRRK2BRD4
SCHEMBL2654038 0.73 GABRG2 (0.68) KDM4EHPGDHSD17B10LRRK2BRD4
SCHEMBL14422617 0.72 HSD17B10 (0.65) KDM4EHPGDHSD17B10LRRK2BRD4
SCHEMBL12204663 0.71 KDM4E (1.00) KDM4EHPGDHSD17B10LRRK2CYP1A2

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-9371329-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-06-21 US disclosed
US-8952034-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-10-09 US disclosed
US-8754103-B2 2014-06-17 US disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 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-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 KDM4E 2541/4885HPGD 927/4885HSD17B10 2866/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 KDM4E 2541/4885HPGD 927/4885HSD17B10 2866/4885

“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.