SCHEMBL15937997

SCHEMBL15937997

N=C(Nc1ncco1)Nc1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 3/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL14862084 0.79 SMN1; SMN2 (0.47) KDM4EKMT2AMEN1SMN1; SMN2HTT
SCHEMBL15938054 0.76 SMN1; SMN2 (0.44) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL14862371 0.76 KDM4E (0.47) KDM4EKMT2AMEN1SMN1; SMN2HTT
SCHEMBL15938290 0.75 HTT (0.44) KDM4EKMT2AMEN1SMN1; SMN2HTT
SCHEMBL14861964 0.75 AURKA (0.45) KDM4EKMT2AMEN1SMN1; SMN2HTT
SCHEMBL14862217 0.74 KDM4E (0.48) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL14861709 0.74 ALDH1A1 (0.53) KDM4EKMT2AMEN1SMN1; SMN2HTT
SCHEMBL14861647 0.73 KMT2A (0.53) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL15938793 0.73 PTGES (0.43) KDM4EKMT2AMEN1SMN1; SMN2HTT
SCHEMBL14862377 0.73 KDM4E (0.43) KDM4EKMT2AMEN1SMN1; SMN2HTT

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
EP-2766342-B1 PHENYL-GUANIDINE DERIVATIVES UNIV NAC QUILMES (AR) 2016-02-10 EP claimed
US-9783501-B2 Substituted quinolines as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-10 US disclosed
US-20150336945-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-26 US disclosed
US-9139529-B2 Substituted quinoxalines as sodium channel modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-09-22 US disclosed
US-20140228371-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-14 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-20150336945-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS SCN5A, SCN1A, SCN2A KDM4E 2141/4885KMT2A 1945/4885MEN1 2358/4885
US-20140228371-A1 QUINOLINE AND QUINAZOLINE AMIDES AS MODULATORS OF SODIUM CHANNELS SCN5A, SCN1A, SCN2A KDM4E 2141/4885KMT2A 1945/4885MEN1 2358/4885

“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.