SCHEMBL1643544

SCHEMBL1643544

COc1ccccc1C(=O)c1ccnc(-c2ccccc2Cl)c1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.59
RORB Q92753 5/20 0.48
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RORC P51449 3/20 0.45
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
TGM2 P21980 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL1643541 0.91 MAPK14 (0.51) MAPK14RORBMAPK13MAPK12MAPK11
SCHEMBL1642477 0.90 MAPK14 (0.49) MAPK14RORBMAPK13MAPK12MAPK11
SCHEMBL1643623 0.86 MAPK14 (0.53) MAPK14RORBRORCLMNAHSD17B10
SCHEMBL1641837 0.81 RORB (0.43) MAPK14RORBMAPK13MAPK12MAPK11
SCHEMBL1643645 0.80 LMNA (0.46) MAPK14RORBMAPK13MAPK12MAPK11
SCHEMBL1642040 0.80 MAPK14 (0.51) MAPK14RORBMAPK13MAPK12MAPK11
SCHEMBL9566962 0.79 MAPK14 (0.62) MAPK14RORBMAPK13MAPK12MAPK11
SCHEMBL1642370 0.79 MAPK14 (0.46) MAPK14RORBMAPK13MAPK12MAPK11
SCHEMBL1642453 0.79 CDK2 (0.44) MAPK14RORBMAPK13MAPK12MAPK11
SCHEMBL1642331 0.78 MAPK14 (0.60) 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 4 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 claimed
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.