SCHEMBL7215604

SCHEMBL7215604

CCc1cc(C#N)cc(CC)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
TTR P02766 2/20 0.38
ALB P02768 2/20 0.38
KCNH2 Q12809 3/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL1425076 0.87 GRM5 (0.39) CYP2A6NOS3NOS2CYP11B1CYP11B2
SCHEMBL7219012 0.82 CTSK (0.51) NOS3NOS2CTSSCTSKCYP19A1
SCHEMBL3087337 0.80 HCAR2 (0.38)
SCHEMBL7219740 0.79 NOS2 (0.46) NOS2KCNH2CTSSCTSKCYP19A1
SCHEMBL9564934 0.76 NOTUM (0.41) TTRALBCYP11B1CYP11B2HSD11B1
SCHEMBL3242600 0.74 CYP1A2 (0.44) CYP2A6KCNH2CTSSCTSKCYP11B1
SCHEMBL18517735 0.71 CTSK (0.47) NOS3NOS2CTSSCTSKCYP19A1
SCHEMBL4734456 0.71 NOS3 (0.35) NOS3NOS2
SCHEMBL19539190 0.70 CYP11B2 (0.44) CYP2A6CYP11B1CYP11B2HSD11B1
SCHEMBL2607125 0.70 CYP2A6 (0.58) CYP2A6TTRALBKCNH2MEN1

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
US-11560373-B2 Compounds and their use as PDE4 activators MIRONID LIMITED (GB) 2023-01-24 US disclosed
EP-3774780-B1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS MIRONID LTD (GB) 2022-11-23 EP disclosed
EP-3774780-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS Mironid Limited (GB) 2021-02-17 EP disclosed
US-20210032231-A1 Compounds and Their Use as PDE4 Activators MIRONID LIMITED (GB) 2021-02-04 US disclosed
WO-2019193342-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS MIRONID LIMITED (GB) 2019-10-10 WO disclosed
US-6603007-B1 Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence SANKIO CHEMICAL CO., LTD. (JP) 2003-08-05 US disclosed
EP-1231207-A1 NOVEL BIPYRIDYL DERIVATIVES Sankio Chemical Co., Ltd. (JP) 2002-08-14 EP 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 (2 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-20210032231-A1 Compounds and Their Use as PDE4 Activators PDE4A, PDE4B, PDE4C CYP2A6 1718/4885NOS3 347/4885NOS2 501/4885
US-11560373-B2 Compounds and their use as PDE4 activators PDE4A, PDE4B, PDE4C CYP2A6 1718/4885NOS3 347/4885NOS2 501/4885

“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.