SCHEMBL10323293

SCHEMBL10323293

NC(=O)c1cc(C(=O)NCc2cc(F)ccc2F)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.50
ROCK2 O75116 6/20 0.47
ROCK1 Q13464 4/20 0.47
MAPK8 P45983 1/20 0.46
WDR5 P61964 1/20 0.43
HTR7 P34969 1/20 0.43
CNR1 P21554 1/20 0.43
MET P08581 1/20 0.42
DDR1 Q08345 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
SCHEMBL10323294 0.85 KDM4E (0.53) PPARGROCK2ROCK1WDR5HTR7
SCHEMBL6357851 0.81 CNR1 (0.55) PPARGROCK2ROCK1MAPK8CNR1
SCHEMBL10322597 0.81 PPARG (0.56) PPARGROCK2
SCHEMBL10321814 0.80 SMN1; SMN2 (0.60) PPARGROCK2
SCHEMBL6362508 0.78 HPGD (0.50) MAPK8CNR1MET
SCHEMBL10321776 0.78 PPARG (0.67) PPARG
SCHEMBL11303987 0.76 ROCK2 (0.36) ROCK2ROCK1MAPK8WDR5HTR7
SCHEMBL10318418 0.76 PPARG (0.72) PPARG
SCHEMBL10448104 0.75 ROCK2 (0.51) ROCK2ROCK1HTR7METDDR1
SCHEMBL10320309 0.75 PPARG (0.57) PPARG

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
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO claimed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US claimed
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 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-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD PPARG 695/4885ROCK2 4027/4885ROCK1 3873/4885

“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.