SCHEMBL165261

SCHEMBL165261

[2H]C([2H])([2H])Oc1ccc(Cl)cc1N(OC(=O)C(F)(F)F)C(=O)Nc1cccc2c1CCN2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.35
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
IGF1R P08069 1/20 0.31
HTR1A P08908 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CFTR P13569 2/20 0.30

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
SCHEMBL167492 0.94 SHMT2 (0.40) SHMT2GAAKDM4EMEN1LMNA
Trifluoroacetic Acid SCHEMBL165260 0.80 IGF1R (0.44) GAAKDM4EMEN1LMNAMAPT
SCHEMBL15077842 0.78 IGF1R (0.48) KDM4EMEN1LMNAMAPTALOX12
Trifluoroacetic Acid SCHEMBL167491 0.73 KMT2A (0.50) KDM4EMEN1LMNAMAPTALOX12
SCHEMBL167730 0.71 MEN1 (0.57) KDM4EMEN1LMNAMAPTALOX12
SCHEMBL174473 0.64 MEN1 (0.55) GAAKDM4EMEN1MAPTKMT2A
SCHEMBL27807412 0.62 MAPT (0.51) GAAKDM4EMEN1LMNAMAPT
SCHEMBL173758 0.62 SMN1; SMN2 (0.53) GAAKDM4EMEN1MAPTKMT2A
SCHEMBL257377 0.60 GAA (0.45) GAAKDM4EMAPTALDH1A1
SCHEMBL173797 0.60 MEN1 (0.54) KDM4EMEN1LMNAKMT2AALDH1A1

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
EP-2611806-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Ascepion Pharmaceuticals, Inc. (CN) 2013-07-10 EP disclosed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US disclosed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 SHMT2 1348/4885GAA 2720/4885KDM4E 900/4885

“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.