SCHEMBL1320928

SCHEMBL1320928

O=C(Cc1ccccc1)Nc1nc2ccc(F)cn2c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.49
TMIGD3 P0DMS9 1/20 0.47
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ADORA3 P0DMS8 7/20 0.44
ELOVL1 Q9BW60 1/20 0.42
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA1 P30542 3/20 0.41
ADORA2A P29274 1/20 0.41
EPHX2 P34913 1/20 0.40
TSHR P16473 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40

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
SCHEMBL1321328 0.97 MAPK14 (0.53) MAPK14TMIGD3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1320267 0.97 MAPK14 (0.48) MAPK14TMIGD3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1320341 0.92 MAPK14 (0.45) MAPK14TMIGD3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1320095 0.91 MAPK14 (0.48) MAPK14TMIGD3ADORA3MEN1KMT2A
SCHEMBL1320678 0.91 KMT2A (0.47) MAPK14ALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL1320242 0.90 SMN1; SMN2 (0.44) MAPK14TMIGD3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1319529 0.89 MEN1 (0.46) MAPK14TMIGD3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1319792 0.88 MAPK14 (0.52) MAPK14ALDH1A1SMN1; SMN2KDM4EADORA3
SCHEMBL1320154 0.88 MEN1 (0.47) MAPK14TMIGD3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL1320480 0.88 CACNA1H (0.48) MAPK14TMIGD3ADORA3ADORA1EPHX2

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
US-9018208-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2015-04-28 US disclosed
US-20130143889-A1 Heterocycles As Potassium Channel Modulators ICAGEN INC. (US) 2013-06-06 US disclosed
US-8431608-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2013-04-30 US disclosed
EP-2536718-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Icagen, Inc. (US) 2012-12-26 EP disclosed
US-8058274-B2 Heterocycles as potassium channel modulators ICAGEN, INC. (US) 2011-11-15 US disclosed
WO-2011102964-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2011-08-25 WO disclosed
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-09-23 US disclosed
EP-2178373-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Icagen, Inc. (US) 2010-04-28 EP disclosed
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2009-03-05 US disclosed
WO-2009026254-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2009-02-26 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 (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-20130143889-A1 Heterocycles As Potassium Channel Modulators KCNK10, KCNK9, KCNJ2 MAPK14 1648/4885TMIGD3 1428/4885ALDH1A1 2020/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 MAPK14 1612/4885TMIGD3 1399/4885ALDH1A1 2150/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 MAPK14 1612/4885TMIGD3 1399/4885ALDH1A1 2150/4885

“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.