SCHEMBL1506161

SCHEMBL1506161

COc1cc(Nc2cc(CC(=O)NCC3CC3)n(-c3ccnc(C)c3)n2)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ SRC P12931 3/20 0.37
▸ ZAP70 P43403 3/20 0.37
▸ SYK P43405 3/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ CNR1 P21554 2/20 0.37
▸ CNR2 P34972 2/20 0.37
▸ MAPK1 P28482 6/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KDR P35968 2/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ PSEN1 P49768 2/20 0.35
▸ PSEN2 P49810 2/20 0.35

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
SCHEMBL1506183 0.90 CDK2 (0.39) CDK2GSK3BCDK4SRCZAP70
SCHEMBL10011105 0.90 GSK3B (0.40) CDK2GSK3BCDK4SRCZAP70
SCHEMBL1506213 0.88 CDK2 (0.38) CDK2GSK3BCDK4SRCZAP70
SCHEMBL10008600 0.88 F10 (0.39) CDK2CNR2MAPK1P2RX7
SCHEMBL1506204 0.88 HDAC3 (0.41) CDK2GSK3BCDK4SRCZAP70
SCHEMBL1506069 0.87 CNR2 (0.44) SYKCNR2MAPK1KDM4ECYP2D6
SCHEMBL1506201 0.86 HDAC3 (0.42) CDK2GSK3BCDK4SRCZAP70
SCHEMBL1506340 0.84 CYP2D6 (0.46) CNR2MAPK1KDRBRAFCYP2D6
SCHEMBL1506197 0.83 SRC (0.46) CDK2GSK3BCDK4SRCZAP70
SCHEMBL1506210 0.82 HDAC3 (0.41) CDK2GSK3BCDK4SRCZAP70

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 CDK2 1034/4885GSK3B 1943/4885CDK4 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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