SCHEMBL1506149

SCHEMBL1506149

Cc1cc(-n2nc(Nc3ccc4c(c3)OC(F)(F)O4)cc2CC#N)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ KDR P35968 1/20 0.35
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35
▸ TUBB8 Q3ZCM7 1/20 0.35
▸ TUBA3E Q6PEY2 1/20 0.35
▸ TUBA1A Q71U36 1/20 0.35
▸ TUBA1C Q9BQE3 1/20 0.35
▸ TUBB6 Q9BUF5 1/20 0.35
▸ TUBB2B Q9BVA1 1/20 0.35
▸ TUBB1 Q9H4B7 1/20 0.35
▸ JAK2 O60674 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
SCHEMBL1506162 0.87 CYP1A2 (0.40) PIK3CACYP1A2TGFBR1ADORA3ADORA2A
SCHEMBL1506317 0.85 BRAF (0.38) PIK3CACYP1A2TGFBR1ADORA3ADORA2A
SCHEMBL1506199 0.83 CYP1A2 (0.41) CYP1A2ADORA3ADORA2AADORA2BADORA1
SCHEMBL1506259 0.83 ADORA3 (0.38) PIK3CACYP1A2TGFBR1ADORA3ADORA2A
SCHEMBL1506338 0.83 JAK2 (0.37) PIK3CAJAK2JAK1MAPK1
SCHEMBL10009662 0.82 CYP1A2 (0.42) CYP1A2ADORA3ADORA2AADORA2BADORA1
SCHEMBL1506086 0.82 CYP1A2 (0.42) CYP1A2TGFBR1ADORA3ADORA2AADORA2B
SCHEMBL1506277 0.81 CYP1A2 (0.39) CYP1A2TGFBR1ADORA3ADORA2AADORA2B
SCHEMBL10009318 0.81 BRAF (0.42) CYP1A2KDRADORA3ADORA2AADORA2B
SCHEMBL10009026 0.81 MAPK1 (0.41) PIK3CACYP1A2TGFBR1BRAFKIT

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 PIK3CA 699/4885CYP1A2 869/4885TGFBR1 347/4885

“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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