SCHEMBL1506218

SCHEMBL1506218

Cc1cc(-n2nc(Nc3ccc(F)c(F)c3)cc2CCC(=O)O)ccn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNJ6 P48051 4/20 0.40
▸ KCNJ5 P48544 4/20 0.40
▸ KCNJ3 P48549 4/20 0.40
▸ MAPK1 P28482 10/20 0.39
▸ FFAR1 O14842 1/20 0.37
▸ GSK3B P49841 1/20 0.36
▸ SPR P35270 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ELOVL1 Q9BW60 1/20 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
SCHEMBL1506262 0.91 KCNJ6 (0.41) KCNJ6KCNJ5KCNJ3MAPK1GSK3B
SCHEMBL1506178 0.89 MAPK1 (0.38) KCNJ6KCNJ5KCNJ3MAPK1SPR
SCHEMBL1506198 0.86 MAPK1 (0.38) KCNJ6KCNJ5KCNJ3MAPK1GSK3B
SCHEMBL1506344 0.85 MAPK1 (0.36) KCNJ6KCNJ5KCNJ3MAPK1GSK3B
SCHEMBL15387568 0.85 MAPK1 (0.39) KCNJ6KCNJ5KCNJ3MAPK1P2RX7
SCHEMBL1506151 0.85 P2RX7 (0.39) KCNJ6KCNJ5KCNJ3MAPK1P2RX7
SCHEMBL1506199 0.84 CYP1A2 (0.41) MAPK1
SCHEMBL1506157 0.83 P2RX7 (0.41) KCNJ6KCNJ5KCNJ3MAPK1P2RX7
SCHEMBL1506298 0.82 THRB (0.47) MAPK1FFAR1
SCHEMBL1506106 0.82 MAPK1 (0.36) KCNJ6KCNJ5KCNJ3MAPK1GSK3B

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 KCNJ6 181/4885KCNJ5 132/4885KCNJ3 106/4885

“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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