SCHEMBL17029314

SCHEMBL17029314

CC(C)c1nc(-c2ncccn2)no1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.66
CNR2 P34972 3/20 0.41
TSHR P16473 4/20 0.41
MAPK1 P28482 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
CASP1 P29466 1/20 0.39
ATM Q13315 1/20 0.39
AAK1 Q2M2I8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM5 P41594 1/20 0.36
NPC1 O15118 1/20 0.36
BMP1 P13497 1/20 0.35
GABRA1 P14867 1/20 0.35

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
SCHEMBL18994468 0.84 HTT (0.49) HTTTSHRMAPK1ALDH1A1RAB9A
SCHEMBL13819896 0.81 HTT (0.46) HTTCNR2TSHRMAPK1ALDH1A1
SCHEMBL13827643 0.81 TSHR (0.47) HTTCNR2TSHRMAPK1KDM4E
SCHEMBL12410853 0.80 HTT (1.00) HTTTSHRKDM4EALDH1A1MAPT
SCHEMBL15479733 0.77 HTT (0.58) HTTTSHRMAPK1KDM4EALDH1A1
SCHEMBL6978731 0.76 HTT (0.62) HTTTSHRMAPK1KDM4EALDH1A1
SCHEMBL12696334 0.74 L3MBTL1 (0.53) HTTKDM4EMAPTHSD17B10RAB9A
SCHEMBL16583482 0.73 HTT (0.50) HTTCNR2TSHRMAPK1KDM4E
SCHEMBL16597257 0.73 HTT (0.50) HTTCNR2TSHRMAPK1KDM4E
SCHEMBL11020935 0.72 SMN1; SMN2 (0.59) HTTTSHRALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3275870-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-02-05 EP disclosed
EP-3275870-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2018-01-31 EP disclosed
EP-2707361-B1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-08-23 EP disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 US disclosed
US-9403782-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-08-02 US disclosed
US-9115096-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-08-25 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 (1 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-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 HTT 891/4885CNR2 346/4885TSHR 1832/4885

“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.