SCHEMBL1641997

SCHEMBL1641997

Nc1c(C(=O)c2ccc(F)cc2F)ccnc1-c1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.61
RORB Q92753 3/20 0.48
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
P2RX7 Q99572 1/20 0.39
FADS1 O60427 1/20 0.38

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
SCHEMBL1642327 0.87 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1643424 0.87 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1642060 0.84 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1643419 0.83 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1643725 0.82 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1643890 0.82 MAPK14 (0.51) MAPK14P2RX7
SCHEMBL1642331 0.81 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1643770 0.80 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1643812 0.80 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1643145 0.80 MAPK14 (0.62) MAPK14

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 33/4885RORB 1612/4885MAPK13 35/4885

“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.