SCHEMBL3433461

SCHEMBL3433461

CC(F)(F)COCc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
AURKB Q96GD4 3/20 0.40
INCENP Q9NQS7 3/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HRH1 P35367 1/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ABCB1 P08183 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALOX15 P16050 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
SCHEMBL10202689 0.87 SYK (0.39) SYKSMN1; SMN2ALDH1A1KDM4EAURKB
SCHEMBL874832 0.86 SMN1; SMN2 (0.42) SYKSMN1; SMN2ALDH1A1KDM4EAURKB
SCHEMBL10202638 0.86 SYK (0.43) SYKSMN1; SMN2ALDH1A1KDM4EAURKB
SCHEMBL10263981 0.83 SYK (0.39) SYKSMN1; SMN2ALDH1A1KDM4EAURKB
SCHEMBL14752969 0.83 FDPS (0.42) SYKSMN1; SMN2ALDH1A1KDM4EAURKB
SCHEMBL3435909 0.80 SYK (0.47) SYKSMN1; SMN2ALDH1A1KDM4EAURKB
SCHEMBL493397 0.79 HRH1 (0.52) SYKSMN1; SMN2ALDH1A1KDM4EAURKB
SCHEMBL10202885 0.77 SYK (0.44) SYKSMN1; SMN2ALDH1A1KDM4EAURKB
Hydrochloric Acid SCHEMBL27710379 0.77 SMN1; SMN2 (0.50) SYKSMN1; SMN2ALDH1A1KDM4EAURKB
SCHEMBL27521251 0.76 SMN1; SMN2 (0.43) SYKSMN1; SMN2ALDH1A1KDM4EAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464645-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-07-05 EP disclosed
US-9371329-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-06-21 US disclosed
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-8952034-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
EP-2588197-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2014-11-05 EP 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-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 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 SYK 2735/4885SMN1; SMN2 1093/4885ALDH1A1 1334/4885
US-20140303158-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 SYK 3414/4885SMN1; SMN2 1673/4885ALDH1A1 2432/4885

“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.