SCHEMBL167492

SCHEMBL167492

COc1ccc(Cl)cc1N(OC(=O)C(F)(F)F)C(=O)Nc1cccc2c1CCN2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.40
GAA P10253 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
IGF1R P08069 1/20 0.35
ALDH1A1 P00352 5/20 0.35
RBP4 P02753 2/20 0.34

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
SCHEMBL165261 0.94 SHMT2 (0.35) SHMT2GAAMEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL167491 0.79 KMT2A (0.50) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL167730 0.77 MEN1 (0.57) MEN1KMT2AKDM4ELMNAMAPT
Trifluoroacetic Acid SCHEMBL165260 0.73 IGF1R (0.44) GAAMEN1KMT2AKDM4ELMNA
SCHEMBL15077842 0.71 IGF1R (0.48) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL174473 0.69 MEN1 (0.55) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL173758 0.68 SMN1; SMN2 (0.53) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL27807412 0.68 MAPT (0.51) GAAMEN1KMT2AKDM4ELMNA
SCHEMBL175118 0.63 RAB9A (0.58) GAAMEN1KMT2ALMNAMAPT
SCHEMBL175262 0.62 SMN1; SMN2 (0.55) MEN1KMT2AKDM4EMAPT

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 2720/4885MEN1 3044/4885

“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.