SCHEMBL3377969

SCHEMBL3377969

NC(=O)c1ccccc1-c1ccc(-n2cccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.54
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
CHRM1 P11229 1/20 0.45
NOTUM Q6P988 1/20 0.45
MGLL Q99685 1/20 0.43
SYK P43405 3/20 0.43
TBK1 Q9UHD2 2/20 0.43
HDAC4 P56524 1/20 0.43
EDNRB P24530 1/20 0.42
EDNRA P25101 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
CSNK1A1 P48729 1/20 0.41
TYRO3 Q06418 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
KDM5A P29375 1/20 0.41

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
SCHEMBL30411928 0.83 BCAT2 (0.47) BCAT2KDM4EALDH1A1MAPK1NOTUM
SCHEMBL28988943 0.83 BCAT2 (0.47) BCAT2KDM4EALDH1A1MAPK1NOTUM
SCHEMBL5878337 0.78 BCAT2 (0.87) BCAT2KDM4EALDH1A1CSNK1A1TYRO3
SCHEMBL323044 0.77 NOTUM (0.55) KDM4EALDH1A1MAPK1NOTUMMGLL
SCHEMBL19794397 0.77 NOTUM (0.55) KDM4EALDH1A1MAPK1CHRM1NOTUM
SCHEMBL3380448 0.76 MEN1 (0.56) BCAT2ALDH1A1MAPK1
SCHEMBL28011535 0.76 PPARG (0.48) KDM4EALDH1A1MAPK1CHRM1NOTUM
SCHEMBL30582476 0.76 BCAT2 (0.83) BCAT2KDM4EALDH1A1CSNK1A1TYRO3
SCHEMBL1785239 0.75 CAPN1 (0.54) KDM4EALDH1A1MAPK1NOTUMSYK
SCHEMBL3544059 0.75 NPC1 (0.49) KDM4EALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447033-B2 Potassium channel blockers JAPAN TOBACCO INC. (JP) 2016-09-20 US disclosed
US-20150259282-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2015-09-17 US disclosed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US disclosed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 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 (3 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-20140221337-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 BCAT2 3090/4885KDM4E 371/4885ALDH1A1 1360/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 BCAT2 2124/4885KDM4E 1379/4885ALDH1A1 3795/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 BCAT2 3090/4885KDM4E 371/4885ALDH1A1 1360/4885

“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.