SCHEMBL10009698

SCHEMBL10009698

CC[C@H](O)Cc1cc(Nc2cccc(C(F)(F)F)c2)nn1-c1ccnc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.47
▸ AURKA O14965 5/20 0.43
▸ IDH2 P48735 3/20 0.41
▸ PHGDH O43175 2/20 0.41
▸ CREBBP Q92793 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ SLC2A1 P11166 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL27881221 1.00 THRB (0.47) THRBAURKAIDH2PHGDHCREBBP
SCHEMBL10010506 1.00 THRB (0.47) THRBAURKAIDH2PHGDHCREBBP
SCHEMBL1506314 0.87 THRB (0.52) THRBAURKAPHGDHCREBBPLMNA
SCHEMBL10009879 0.87 MAPK1 (0.45) CYP2D6CYP2C9KCNH2GPR142
SCHEMBL27981727 0.87 MAPK1 (0.45) CYP2D6CYP2C9KCNH2GPR142
SCHEMBL10010256 0.87 MAPK1 (0.41) LMNAKMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL1506141 0.85 GSK3B (0.41) PHGDHPSEN1PSEN2APH1BNCSTN
SCHEMBL1506170 0.85 GSK3B (0.41) PHGDHPSEN1PSEN2APH1BNCSTN
SCHEMBL1506286 0.85 THRB (0.49) THRBAURKAIDH2PHGDHLMNA
SCHEMBL1506298 0.83 THRB (0.47) THRBAURKALMNARECQLSLC2A1

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
CN-102574832-B Substituted N-phenyl-1-(4-pyridinyl)-1H-pyrazol-3-amines JANSSEN PHARMACEUTICA NV 2014-09-24 — — CN disclosed
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
CN-102574832-A Substituted N-phenyl-1-(4-pyridinyl)-1H-pyrazol-3-amines JANSSEN PHARMACEUTICA NV 2012-07-11 — — CN 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 THRB 226/4885AURKA 811/4885IDH2 3309/4885

“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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