SCHEMBL1506106

SCHEMBL1506106

COCc1cc(Nc2ccc(F)c(F)c2)nn1-c1ccnc(C)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 9/20 0.36
▸ GSK3B P49841 3/20 0.36
▸ TDO2 P48775 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KCNN3 Q9UGI6 1/20 0.34
▸ KCNJ6 P48051 2/20 0.33
▸ KCNJ5 P48544 2/20 0.33
▸ KCNJ3 P48549 2/20 0.33
▸ RAPGEF4 Q8WZA2 1/20 0.33
▸ DHFR P00374 1/20 0.33

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
SCHEMBL1506198 0.87 MAPK1 (0.38) MAPK1GSK3BTDO2KDM4EMAPT
SCHEMBL10008965 0.86 MAPK1 (0.42) MAPK1GSK3BTDO2KDM4EMAPT
SCHEMBL15387568 0.85 MAPK1 (0.39) MAPK1MAPTKCNJ6KCNJ5KCNJ3
SCHEMBL1506344 0.84 MAPK1 (0.36) MAPK1GSK3BTDO2KDM4EMAPT
SCHEMBL1506338 0.84 JAK2 (0.37) MAPK1GSK3BTDO2KDM4EMAPT
SCHEMBL1506262 0.83 KCNJ6 (0.41) MAPK1GSK3BKCNJ6KCNJ5KCNJ3
SCHEMBL10010147 0.83 KCNN3 (0.43) MAPK1GSK3BTDO2KDM4EMAPT
SCHEMBL1506218 0.82 KCNJ6 (0.40) MAPK1GSK3BKCNJ6KCNJ5KCNJ3
SCHEMBL10009314 0.82 MAPK1 (0.35) MAPK1GSK3BTDO2KDM4EMAPT
SCHEMBL10008635 0.82 MAPK1 (0.35) MAPK1GSK3BTDO2KDM4EMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791144-B2 Substituted N-phenyl-1-(4-Pyridinyl)-1H-pyrazol-3-amines JANSSEN PHARMACEUTICA NV (BE) 2014-07-29 — — US disclosed
EP-2491024-B1 SUBSTITUTED N-PHENYL-1-(4-PYRIDINYL)-1H-PYRAZOL-3-AMINES JANSSEN PHARMACEUTICA NV (BE) 2013-11-20 — — EP disclosed
EP-2491024-A1 SUBSTITUTED N-PHENYL-1-(4-PYRIDINYL)-1H-PYRAZOL-3-AMINES Janssen Pharmaceutica N.V. (BE) 2012-08-29 — — EP disclosed
US-20120172354-A1 Substituted N-Phenyl-1-(4-Pyridinyl)-1H-Pyrazol-3-Amines JANSSEN PHARMACEUTICA NV (BE) 2012-07-05 — — US disclosed
WO-2011033018-A1 SUBSTITUTED N-PHENYL-1-(4-PYRIDINYL)-1H-PYRAZOL-3-AMINES JANSSEN PHARMACEUTICA NV (BE) 2011-03-24 — — 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-20120172354-A1 Substituted N-Phenyl-1-(4-Pyridinyl)-1H-Pyrazol-3-Amines CHRM1, CHRNA1, CHRM3 MAPK1 1404/4885GSK3B 1943/4885TDO2 2558/4885

“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.

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