SCHEMBL1506344

SCHEMBL1506344

Cc1cc(-n2nc(Nc3ccc(F)c(F)c3)cc2CCCO)ccn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 9/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GSK3B P49841 2/20 0.35
▸ KCNJ6 P48051 2/20 0.35
▸ KCNJ5 P48544 2/20 0.35
▸ KCNJ3 P48549 2/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ KCNN3 Q9UGI6 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ RAPGEF4 Q8WZA2 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 0.90 MAPK1 (0.38) MAPK1KDM4EMAPTGSK3BKCNJ6
SCHEMBL1506218 0.85 KCNJ6 (0.40) MAPK1GSK3BKCNJ6KCNJ5KCNJ3
SCHEMBL1506262 0.84 KCNJ6 (0.41) MAPK1GSK3BKCNJ6KCNJ5KCNJ3
SCHEMBL1506106 0.84 MAPK1 (0.36) MAPK1KDM4EMAPTGSK3BKCNJ6
SCHEMBL10008635 0.83 MAPK1 (0.35) MAPK1KDM4EMAPTGSK3BKCNJ6
SCHEMBL27982244 0.83 MAPK1 (0.35) MAPK1KDM4EMAPTGSK3BKCNJ6
SCHEMBL10009314 0.83 MAPK1 (0.35) MAPK1KDM4EMAPTGSK3BKCNJ6
SCHEMBL1506338 0.83 JAK2 (0.37) MAPK1KDM4EMAPTGSK3BKCNJ6
SCHEMBL1506317 0.83 BRAF (0.38) MAPK1
SCHEMBL1506178 0.83 MAPK1 (0.38) MAPK1KCNJ6KCNJ5KCNJ3P2RX7

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 1404/4885KDM4E 1364/4885MAPT 1770/4885

“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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