SCHEMBL10008700

SCHEMBL10008700

Cc1cc(-n2nc(Nc3cccc(C(F)(F)F)c3)cc2COCc2ccccc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ AURKA O14965 5/20 0.44
▸ MAPK1 P28482 2/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PPIA P62937 1/20 0.39
▸ FLT1 P17948 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 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
SCHEMBL10010156 0.91 SLC2A1 (0.44) SLC2A1THRBAURKAMAPK1GSK3B
SCHEMBL10010076 0.88 KDR (0.44) SLC2A1MAPK1GSK3BPSEN1PSEN2
SCHEMBL10011182 0.88 MAPK1 (0.41) MAPK1GSK3BCYP2D6CYP2C9KCNH2
SCHEMBL10008965 0.84 MAPK1 (0.42) MAPK1GSK3BMAPTKMT2A
SCHEMBL1506314 0.84 THRB (0.52) SLC2A1THRBAURKAGSK3BPSEN1
SCHEMBL1506298 0.81 THRB (0.47) SLC2A1THRBAURKAMAPK1CYP3A4
SCHEMBL1506286 0.81 THRB (0.49) SLC2A1THRBAURKAPSEN1PSEN2
SCHEMBL1506230 0.81 THRB (0.49) SLC2A1THRBAURKAGSK3BPSEN1
SCHEMBL1506291 0.81 THRB (0.47) THRBAURKAMAPK1PSEN1PSEN2
SCHEMBL10009026 0.80 MAPK1 (0.41) MAPK1MAPT

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 3 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
US-20120172354-A1 Substituted N-Phenyl-1-(4-Pyridinyl)-1H-Pyrazol-3-Amines JANSSEN PHARMACEUTICA NV (BE) 2012-07-05 — — US 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 SLC2A1 4368/4885THRB 226/4885AURKA 811/4885

“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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