SCHEMBL1644182

SCHEMBL1644182

Nc1c(C(=O)c2ccccc2)ccnc1-c1c(Cl)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
MAPK14 Q16539 4/20 0.45
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
TNK2 Q07912 1/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.39
HAVCR2 Q8TDQ0 1/20 0.39
ALOX15 P16050 2/20 0.39
RORB Q92753 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 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
SCHEMBL1643526 0.87 RORB (0.51) ALDH1A1GAAMAPTLMNAMAPK14
SCHEMBL1644177 0.81 MAPK14 (0.49) ALDH1A1GAAMAPTLMNAMAPK14
SCHEMBL1643825 0.81 MAPK14 (0.54) GAAMAPTMAPK14TNK2MEN1
SCHEMBL1642008 0.79 MAPK14 (0.50) ALDH1A1GAALMNAMAPK14MAPK13
SCHEMBL1643090 0.77 RORB (0.47) LMNAMAPK14MAPK13MAPK12MAPK11
SCHEMBL12844844 0.77 MAPT (0.50) ALDH1A1GAAMAPTLMNAMAPK14
SCHEMBL1642060 0.77 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1569037 0.77 GAA (0.58) ALDH1A1GAAMAPTLMNAMAPK14
SCHEMBL31366601 0.77 GAA (0.58) ALDH1A1GAAMAPTLMNAMAPK14
SCHEMBL1643214 0.76 USP2 (0.43) MAPTMAPK14HTTUSP2

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 ALDH1A1 3124/4885GAA 3842/4885MAPT 552/4885

“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.