SCHEMBL16783052

SCHEMBL16783052

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 5/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPY5R Q15761 1/20 0.37
▸ PTGER1 P34995 1/20 0.37
▸ DHODH Q02127 4/20 0.36
▸ FPR1 P21462 3/20 0.36
▸ FPR2 P25090 3/20 0.36
▸ PYGL P06737 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
SCHEMBL16782981 0.92 STIM1 (0.37) PDE4DALDH1A1PDE4APDE4BPDE4C
SCHEMBL16783082 0.92 PDE4D (0.46) PDE4DALDH1A1PDE4APDE4BPDE4C
SCHEMBL16782970 0.88 PDE4D (0.46) PDE4DALDH1A1PDE4APDE4BPDE4C
SCHEMBL16783087 0.88 RAB9A (0.42) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL16783071 0.86 PDE4D (0.48) PDE4DALDH1A1PDE4APDE4BPDE4C
SCHEMBL16782959 0.86 PDE4D (0.46) PDE4DALDH1A1PDE4APDE4BPDE4C
SCHEMBL16804984 0.86 PDE4D (0.46) PDE4DALDH1A1PDE4APDE4BPDE4C
SCHEMBL16783069 0.86 PDE4D (0.43) PDE4DALDH1A1PDE4APDE4BPDE4C
SCHEMBL16783023 0.86 PDE4D (0.48) PDE4DALDH1A1PDE4APDE4BPDE4C
SCHEMBL16783018 0.84 NPC1 (0.44) PDE4DALDH1A1PDE4APDE4BPDE4C

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 PDE4D 3462/4885ALDH1A1 2894/4885PDE4A 2969/4885

“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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