SCHEMBL14847331

SCHEMBL14847331

O=C1NCc2cc(-c3cc(B(O)O)ccc3C(F)(F)F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.45
DAPK3 O43293 1/20 0.45
NTRK1 P04629 1/20 0.45
PIM1 P11309 1/20 0.45
FLT3 P36888 1/20 0.45
ROCK1 Q13464 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
PRF1 P14222 4/20 0.43
PRKCI P41743 1/20 0.41
PARP10 Q53GL7 2/20 0.39
PARP11 Q9NR21 2/20 0.39
BRAF P15056 1/20 0.39
GRM5 P41594 3/20 0.38
TDP2 O95551 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
AKT1 P31749 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVR1 Q04771 1/20 0.36
TARS1 P26639 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
SCHEMBL14847333 0.84 GSK3B (0.58) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL14847340 0.82 GSK3B (0.53) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL15962134 0.81 CLK4 (0.54) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL29956179 0.80 CA12 (0.48) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL20599741 0.80 CA12 (0.48) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL14847347 0.80 ABL1 (0.40) GRM5TDP2
SCHEMBL14847341 0.78 PARP10 (0.50) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL14847348 0.77 CLK4 (0.51) GSK3BDAPK3NTRK1PIM1FLT3
SCHEMBL15962142 0.76 ABL1 (0.38) TDP2
SCHEMBL23757293 0.74 CLK4 (0.51) GSK3BDAPK3NTRK1PIM1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630979-B2 Inhibitors of monoacylglycerol lipase and methods of their use INFINITY PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-20140235580-A1 INHIBITORS OF MONOACYLGLYCEROL LIPASE AND METHODS OF THEIR USE INFINITY PHARMACEUTICALS, INC. 2014-08-21 US disclosed
WO-2013049332-A1 INHIBITORS OF MONOACYLGLYCEROL LIPASE AND METHODS OF THEIR USE INFINITY PHARMACEUTICALS, INC. (US) 2013-04-04 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 (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-20140235580-A1 INHIBITORS OF MONOACYLGLYCEROL LIPASE AND METHODS OF THEIR USE MGLL, PNLIP, LIPC GSK3B 1577/4885DAPK3 2852/4885NTRK1 4879/4885

“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.