SCHEMBL7169618

SCHEMBL7169618

O=C(NCc1ccccn1)c1cn(-c2ccc(F)cc2)c2ncccc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 5/20 0.55
▸ KCNH2 Q12809 4/20 0.55
▸ ALDH1A1 P00352 7/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ HPGD P15428 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ RUNX1 Q01196 1/20 0.46
▸ CBFB Q13951 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL7172514 0.90 PDE4A (0.60) PDE4AKCNH2L3MBTL1LMNA
SCHEMBL7172524 0.87 KCNH2 (0.53) PDE4AKCNH2L3MBTL1
SCHEMBL7171214 0.85 KCNH2 (0.54) PDE4AKCNH2KDM4EHPGDSMN1; SMN2
SCHEMBL7173411 0.85 PDE4A (0.49) PDE4AKCNH2
SCHEMBL7688432 0.85 PDE4A (0.55) PDE4AKCNH2LMNA
SCHEMBL7169759 0.84 PDE4A (0.62) PDE4AKCNH2
SCHEMBL7172789 0.83 PDE4A (0.57) PDE4AKCNH2NPC1RAB9AHSD17B10
SCHEMBL7167992 0.83 PDE4A (0.53) PDE4AKCNH2
SCHEMBL7171340 0.83 PDE4A (0.71) PDE4AKCNH2
SCHEMBL7167745 0.83 PDE4A (0.53) PDE4AKCNH2

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 559/4885ALDH1A1 686/4885

“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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