SCHEMBL7172153

SCHEMBL7172153

O=C(NCCc1ccncc1)c1cn(-c2ccccc2)c2ncccc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 14/20 0.61
▸ KCNH2 Q12809 8/20 0.61
▸ PDE4B Q07343 8/20 0.48
▸ PDE4C Q08493 8/20 0.48
▸ PDE4D Q08499 8/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ RAB9A P51151 1/20 0.46
▸ PKM P14618 1/20 0.46

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
SCHEMBL7172789 0.88 PDE4A (0.57) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7172524 0.82 KCNH2 (0.53) PDE4AKCNH2
SCHEMBL7172514 0.78 PDE4A (0.60) PDE4AKCNH2PKM
SCHEMBL7170883 0.78 KCNH2 (0.60) PDE4AKCNH2
SCHEMBL7173606 0.77 PDE4A (0.70) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7169656 0.77 KCNH2 (0.62) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7688432 0.77 PDE4A (0.55) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7167992 0.76 PDE4A (0.53) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7169620 0.75 PDE4A (0.58) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7169490 0.75 PDE4A (0.53) PDE4AKCNH2PDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6541480-B2 Controlling cytokines SUNTORY LIMITED (JP) 2003-04-01 — — US disclosed
US-20020006935-A1 1-aryl-1,8-naphthylidin-4-one derivative as type IV phosphodiesterase inhibitor DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2002-01-17 — — US disclosed
US-6297248-B1 1-aryl-1,8-naphthylidin-4-one derivative as type IV phosphodiesterase inhibitor SUNTORY LIMITED (JP) 2001-10-02 — — 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-20020006935-A1 1-aryl-1,8-naphthylidin-4-one derivative as type IV phosphodiesterase inhibitor PDE3A, PDE5A, PDE3B PDE4A 4/4885KCNH2 559/4885PDE4B 5/4885

“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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