SCHEMBL1506107

SCHEMBL1506107

COc1cc(Nc2cc(CC#N)n(-c3ccnc(C)c3)n2)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.42
▸ CDK2 P24941 3/20 0.42
▸ CDK4 P11802 2/20 0.42
▸ SRC P12931 3/20 0.41
▸ ZAP70 P43403 3/20 0.41
▸ SYK P43405 3/20 0.41
▸ KDR P35968 1/20 0.40
▸ STK16 O75716 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ CLK3 P49761 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PSEN1 P49768 2/20 0.37
▸ PSEN2 P49810 2/20 0.37
▸ APH1B Q8WW43 2/20 0.37
▸ NCSTN Q92542 2/20 0.37
▸ APH1A Q96BI3 2/20 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
SCHEMBL1506197 0.88 SRC (0.46) GSK3BCDK2CDK4SRCZAP70
SCHEMBL1506177 0.86 EGFR (0.34) GSK3BKDRCLK1CLK2CLK3
SCHEMBL1506180 0.85 GSK3B (0.42) GSK3BCDK2CDK4SRCZAP70
SCHEMBL1506230 0.85 THRB (0.49) GSK3BCDK2CDK4MAPTPSEN1
SCHEMBL1506201 0.85 HDAC3 (0.42) GSK3BCDK2CDK4SRCZAP70
SCHEMBL1506210 0.84 HDAC3 (0.41) GSK3BCDK2CDK4SRCZAP70
SCHEMBL1506141 0.84 GSK3B (0.41) GSK3BCDK2CDK4SRCZAP70
SCHEMBL1506170 0.84 GSK3B (0.41) GSK3BCDK2CDK4SRCZAP70
SCHEMBL1506204 0.83 HDAC3 (0.41) GSK3BCDK2CDK4SRCZAP70
SCHEMBL10010076 0.82 KDR (0.44) GSK3BCDK2CDK4SRCZAP70

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 7 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
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
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 GSK3B 1943/4885CDK2 1034/4885CDK4 1884/4885

“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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