SCHEMBL1506204

SCHEMBL1506204

CNC(=O)Cc1cc(Nc2cc(OC)cc(C(F)(F)F)c2)nn1-c1ccnc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ GSK3B P49841 3/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ CDK4 P11802 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SRC P12931 3/20 0.39
▸ ZAP70 P43403 3/20 0.39
▸ SYK P43405 3/20 0.39
▸ KDR P35968 1/20 0.39
▸ PSEN1 P49768 4/20 0.38
▸ PSEN2 P49810 4/20 0.38
▸ APH1B Q8WW43 4/20 0.38
▸ NCSTN Q92542 4/20 0.38
▸ APH1A Q96BI3 4/20 0.38
▸ PSENEN Q9NZ42 4/20 0.38

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
SCHEMBL10011105 0.92 GSK3B (0.40) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL1506201 0.91 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL1506183 0.90 CDK2 (0.39) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL1506213 0.89 CDK2 (0.38) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL1506161 0.88 CDK2 (0.38) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL1506197 0.87 SRC (0.46) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL1506210 0.87 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL1506184 0.87 P2RX7 (0.38) MAPK1P2RX7
SCHEMBL1506250 0.86 THRB (0.47) MAPTMAPK1
SCHEMBL1506180 0.85 GSK3B (0.42) HDAC3HDAC1HDAC2HDAC6GSK3B

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 HDAC3 835/4885HDAC1 1078/4885HDAC2 1433/4885

“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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