SCHEMBL1506338

SCHEMBL1506338

Cc1cc(-n2nc(Nc3ccc(F)c(F)c3)cc2CC#N)ccn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GSK3B P49841 2/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ MAPK1 P28482 6/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ KCNN3 Q9UGI6 1/20 0.33
▸ KCNJ6 P48051 2/20 0.33
▸ KCNJ5 P48544 2/20 0.33
▸ KCNJ3 P48549 2/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ RAPGEF4 Q8WZA2 1/20 0.33
▸ PIK3CA P42336 1/20 0.32

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 0.86 MAPK1 (0.38) KDM4EMAPTGSK3BTDO2MAPK1
SCHEMBL1506106 0.84 MAPK1 (0.36) KDM4EMAPTGSK3BTDO2MAPK1
SCHEMBL1506344 0.83 MAPK1 (0.36) KDM4EMAPTGSK3BTDO2MAPK1
SCHEMBL1506149 0.83 PIK3CA (0.38) JAK2JAK1MAPK1PIK3CA
SCHEMBL1506262 0.82 KCNJ6 (0.41) GSK3BMAPK1KCNJ6KCNJ5KCNJ3
SCHEMBL10010147 0.82 KCNN3 (0.43) KDM4EMAPTGSK3BTDO2MAPK1
SCHEMBL1506230 0.82 THRB (0.49) MAPTGSK3BTDO2
SCHEMBL10008635 0.81 MAPK1 (0.35) KDM4EMAPTGSK3BTDO2MAPK1
SCHEMBL1506218 0.81 KCNJ6 (0.40) GSK3BMAPK1KCNJ6KCNJ5KCNJ3
SCHEMBL10009314 0.81 MAPK1 (0.35) KDM4EMAPTGSK3BTDO2MAPK1

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 JAK2 1985/4885JAK1 1459/4885KDM4E 1364/4885

“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.

Send feedback