SCHEMBL1642040

SCHEMBL1642040

Nc1c(C(=O)c2ccc(F)cc2Cl)ccnc1-c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.51
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.41
RORB Q92753 1/20 0.40
JAK2 O60674 1/20 0.39
GRM4 Q14833 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
HSD11B1 P28845 1/20 0.38
P2RX7 Q99572 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
DPP4 P27487 1/20 0.37
CYP2D6 P10635 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL1642331 0.93 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1643623 0.87 MAPK14 (0.53) MAPK14RECQLRORBJAK2ALDH1A1
SCHEMBL1642008 0.86 MAPK14 (0.50) MAPK14KDM4EPOLBRORBGRM4
SCHEMBL1643214 0.86 USP2 (0.43) MAPK14HPGDRAB9ASMN1; SMN2
SCHEMBL1643812 0.85 MAPK14 (0.48) MAPK14HPGDMAPK13MAPK12MAPK11
SCHEMBL1642094 0.83 MAPK14 (0.47) MAPK14KDM4EPOLBRORBGRM4
SCHEMBL1643607 0.81 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1644025 0.81 HPGD (0.43) MAPK14KDM4EPOLBGRM4ALDH1A1
SCHEMBL1643890 0.80 MAPK14 (0.51) MAPK14P2RX7
SCHEMBL1643544 0.80 MAPK14 (0.59) MAPK14RORBHPGDMAPK13MAPK12

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 33/4885KDM4E 2470/4885POLB 1840/4885

“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.