SCHEMBL140467

SCHEMBL140467

CC(F)(F)c1cc(Nc2nc3ccc(C(F)(F)F)cc3s2)nc(Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.51
CSNK1D P48730 12/20 0.49
LCK P06239 1/20 0.44
ITK Q08881 1/20 0.44
AURKB Q96GD4 1/20 0.44
CYP2D6 P10635 1/20 0.44
ACP1 P24666 1/20 0.44
EPHX2 P34913 1/20 0.44
SCN4A P35499 1/20 0.44
PPARA Q07869 1/20 0.43
PIK3CG P48736 1/20 0.42

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
SCHEMBL140569 0.85 PIK3CG (0.50) DYRK1AITKPIK3CG
SCHEMBL144539 0.84 MAPT (0.55) DYRK1ALCKITKAURKB
SCHEMBL140232 0.77 ITK (0.69) DYRK1ACSNK1DLCKITKAURKB
SCHEMBL140233 0.77 ITK (0.69) DYRK1ACSNK1DLCKITKAURKB
SCHEMBL143889 0.75 LCK (0.49) DYRK1ALCKITKAURKB
SCHEMBL141486 0.75 LCK (0.67) LCKITKAURKB
SCHEMBL138887 0.73 RAB9A (0.52) LCKITKAURKBPIK3CG
SCHEMBL140313 0.73 LCK (0.55) CSNK1DLCKITKAURKB
SCHEMBL138176 0.73 LCK (0.55) DYRK1ACSNK1DLCKITKAURKB
SCHEMBL5683714 0.73 DYRK1A (0.68) DYRK1ACSNK1DCYP2D6ACP1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 US disclosed
US-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-08 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-20120058984-A1 PYRIMIDINE DERIVATIVES USED AS ITK INHIBITORS DTYMK, ITK, DCK DYRK1A 591/4885CSNK1D 437/4885LCK 189/4885

“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.