SCHEMBL2454628

SCHEMBL2454628

CN(c1cccc(NC(=O)C(F)(F)F)c1)c1ccc(N)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ATR Q13535 1/20 0.39
PTGS1 P23219 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
TP53 P04637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 1/20 0.37
EGFR P00533 1/20 0.36
JAK3 P52333 1/20 0.36
BTK Q06187 1/20 0.36
IKBKB O14920 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2453189 0.90 L3MBTL1 (0.39) L3MBTL1MAPTNPC1RAB9ATP53
SCHEMBL2453021 0.83 L3MBTL1 (0.43) L3MBTL1MAPTNPC1RAB9ATP53
SCHEMBL2457208 0.81 KDR (0.37) L3MBTL1MAPTPTGS1RAF1BRAF
SCHEMBL2455971 0.79 L3MBTL1 (0.42) L3MBTL1MAPTNPC1RAB9ARAF1
SCHEMBL27520964 0.78 L3MBTL1 (0.59) L3MBTL1MAPTRAB9ATP53CYP1A2
SCHEMBL2723870 0.71 L3MBTL1 (0.65) L3MBTL1MAPTNPC1RAB9APTGS1
SCHEMBL2453229 0.70 KDR (0.51) NPC1RAB9ARAF1BRAFIKBKB
SCHEMBL25453080 0.70 DHFR (0.46) L3MBTL1MAPTTP53CYP1A2CYP2C9
SCHEMBL20981664 0.69 L3MBTL1 (0.82) L3MBTL1MAPTNPC1RAB9ATP53
SCHEMBL3244919 0.69 FYN (0.50) BRAFTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2399921-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-12 EP disclosed
US-8697874-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-15 US disclosed
EP-2399921-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-12-28 EP disclosed
US-20110237620-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-29 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-20110237620-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NR3C2, RAF1 L3MBTL1 3976/4885MAPT 4487/4885NPC1 2884/4885

“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.