SCHEMBL1643706

SCHEMBL1643706

Nc1c(C(=O)c2ccc(F)cc2F)ccnc1-c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.45
CDC7 O00311 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
KMO O15229 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
P2RY1 P47900 1/20 0.37

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
SCHEMBL1643607 0.87 MAPK14 (0.49) MAPK14CDC7DBF4MAPK13MAPK12
SCHEMBL1644033 0.85 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1643777 0.85 MAPK14 (0.47) MAPK14
SCHEMBL1642475 0.84 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1642331 0.84 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1641832 0.83 MAPK14 (0.55) MAPK14KMOMAPK13MAPK12MAPK11
SCHEMBL1643718 0.82 MAPK14 (0.45) MAPK14CDC7MAPK13MAPK12MAPK11
SCHEMBL1643481 0.82 MAPK14 (0.61) MAPK14
SCHEMBL1643601 0.81 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11P2RY1
SCHEMBL1643424 0.81 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11

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-20110098298-A1 New Pyridin-3-Amine Derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2011-04-28 US disclosed
EP-1987005-A2 NEW PYRIDIN-3-AMINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2008-11-05 EP disclosed
WO-2007096072-A2 NEW PYRIDIN-3-AMINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-30 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-20110098298-A1 New Pyridin-3-Amine Derivatives MAPK1, MAP4K2, MAPK3 MAPK14 33/4885CDC7 227/4885CCNE1 412/4885

“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.