SCHEMBL16782960

SCHEMBL16782960

COc1cc(C2CC2)ncc1-c1cc(C(=O)Nc2c(F)cccc2F)nn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 5/20 0.44
▸ PDE4B Q07343 3/20 0.44
▸ PDE4A P27815 2/20 0.44
▸ PDE4C Q08493 2/20 0.44
▸ CRACR2A Q9BSW2 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ 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
▸ CHRNB2 P17787 2/20 0.39
▸ CHRNB4 P30926 2/20 0.39
▸ CHRNA3 P32297 2/20 0.39
▸ CHRNA4 P43681 2/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ APLNR P35414 1/20 0.38

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
SCHEMBL16783020 0.92 PDE4B (0.40) PDE4DPDE4BPDE4APDE4CCHRNB2
SCHEMBL16782972 0.88 NPY5R (0.41) CRACR2ADHODHNPC1RAB9ASMN1; SMN2
SCHEMBL16782959 0.87 PDE4D (0.46) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL16783071 0.87 PDE4D (0.48) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL16783082 0.87 PDE4D (0.46) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL16804984 0.87 PDE4D (0.46) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL16783023 0.86 PDE4D (0.48) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL16783094 0.85 CRACR2A (0.45) CRACR2ALMNACHRNB2CHRNB4CHRNA3
SCHEMBL16782955 0.85 PDE4D (0.41) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL16782954 0.84 NPY5R (0.44) PDE4DPDE4BPDE4APDE4CCRACR2A

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 7 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
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 3462/4885PDE4B 2316/4885PDE4A 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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