SCHEMBL4923522

SCHEMBL4923522

CCN1Cc2nc3c(-c4ccccc4F)c(F)ccc3c(N)c2C1=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 2/20 0.34
▸ GABRA3 P34903 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ALPL P05186 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ GRM2 Q14416 1/20 0.30

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
SCHEMBL2656331 0.89 PDE5A (0.40) PDE5AGABRA3HSD17B10GABRG2GABRB3
SCHEMBL2660673 0.88 HDAC1 (0.34) PDE5AGABRG2GABRB3GABRA2GRM2
SCHEMBL2661341 0.85 GABRG2 (0.38) PDE5AGABRA3GABRG2GABRB3GABRA2
SCHEMBL2658808 0.85 GABRG2 (0.44) PDE5AGABRG2GABRB3GABRA2GRM2
SCHEMBL2656682 0.85 GABRG2 (0.36) PDE5AGABRA3GABRG2GABRB3GABRA2
SCHEMBL2661405 0.84 GABRG2 (0.42) PDE5AGABRG2GABRB3GABRA2GRM2
SCHEMBL2657693 0.84 LCK (0.34) —
SCHEMBL2655630 0.84 GABRG2 (0.39) PDE5AGABRA3GABRG2GABRB3GABRA2
SCHEMBL2656693 0.83 PDE5A (0.34) PDE5A
SCHEMBL2660986 0.82 PDE5A (0.33) PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF PDE5A 742/4885GABRA3 216/4885NLRP3 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.

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