SCHEMBL4913419

SCHEMBL4913419

CCCN1Cc2nc3c(-c4cccc(OC)c4F)cccc3c(N)c2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 4/20 0.39
▸ GABRB3 P28472 4/20 0.39
▸ GABRA2 P47869 4/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ GABRA3 P34903 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TP53 P04637 1/20 0.36
▸ METAP2 P50579 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ CRHR1 P34998 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ GNRHR P30968 1/20 0.34

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
SCHEMBL2655510 0.92 PDE5A (0.41) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL4916122 0.91 GABRG2 (0.39) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL4921356 0.91 GABRG2 (0.37) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2656730 0.91 GABRA1 (0.49) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL4922963 0.90 TLR8 (0.40) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2660917 0.89 GABRG2 (0.37) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2656734 0.88 BACE1 (0.38) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2660984 0.88 GABRG2 (0.36) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2662098 0.87 TP53 (0.35) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL4922653 0.87 GABRG2 (0.49) GABRG2GABRB3GABRA2GABRA1GABRA5

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 GABRG2 592/4885GABRB3 332/4885GABRA2 218/4885

“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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