SCHEMBL16782954

SCHEMBL16782954

COc1cc(C(F)(F)F)ncc1-c1cc(C(=O)Nc2c(F)cccc2F)nn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.44
▸ PDE4D Q08499 4/20 0.43
▸ CRACR2A Q9BSW2 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ IRAK4 Q9NWZ3 6/20 0.40
▸ FLT3 P36888 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ IRAK1 P51617 1/20 0.39
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ TAS1R2 Q8TE23 1/20 0.39
▸ NPC1 O15118 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
SCHEMBL16783071 0.87 PDE4D (0.48) NPY5RPDE4DALDH1A1MEN1LMNA
SCHEMBL16783096 0.87 NPY5R (0.48) NPY5RCRACR2AIRAK4NPC1RAB9A
SCHEMBL16783082 0.87 PDE4D (0.46) NPY5RPDE4DALDH1A1MEN1LMNA
SCHEMBL16782959 0.87 PDE4D (0.46) NPY5RPDE4DALDH1A1MEN1LMNA
SCHEMBL16804984 0.87 PDE4D (0.46) NPY5RPDE4DALDH1A1MEN1LMNA
SCHEMBL16783069 0.87 PDE4D (0.43) NPY5RPDE4DCRACR2AALDH1A1IRAK4
SCHEMBL16782960 0.84 PDE4D (0.44) NPY5RPDE4DCRACR2AALDH1A1MEN1
SCHEMBL16782970 0.84 PDE4D (0.46) NPY5RPDE4DALDH1A1MEN1LMNA
SCHEMBL16783052 0.83 PDE4D (0.42) NPY5RPDE4DALDH1A1MEN1LMNA
SCHEMBL15862564 0.82 PDE4D (0.44) NPY5RPDE4DALDH1A1IRAK4MEN1

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
WO-2015090579-A1 PYRAZOLYL-BASED CARBOXAMIDES IV Grünenthal GmbH (DE) 2015-06-25 — — WO claimed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — US claimed
WO-2015090579-A1 PYRAZOLYL-BASED CARBOXAMIDES IV Grünenthal GmbH (DE) 2015-06-25 — — WO disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — US disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — 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-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES AADAC, NLRP3, NOD2 NPY5R 2049/4885PDE4D 3462/4885CRACR2A 635/4885

“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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