SCHEMBL4919724

SCHEMBL4919724

COc1ccc(-c2cccc3c(N)c4c(nc23)CN(C2=CC=C2)C4=O)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.41
▸ GABRG2 P18507 12/20 0.40
▸ GABRB3 P28472 12/20 0.40
▸ GABRA2 P47869 12/20 0.40
▸ GABRA1 P14867 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ ENPP3 O14638 1/20 0.35
▸ ENPP1 P22413 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL4912616 0.93 GABRG2 (0.48) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2657086 0.90 UGCG (0.36) CRHR1GABRG2GABRB3GABRA2GABRA1
SCHEMBL2655753 0.90 UGCG (0.39) GABRG2GABRB3GABRA2MAPTALDH1A1
SCHEMBL2657023 0.88 GABRG2 (0.37) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2658032 0.86 UGCG (0.33) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL4916340 0.86 CRHR1 (0.44) CRHR1GABRG2GABRB3GABRA2GABRA1
SCHEMBL2657000 0.86 GABRG2 (0.46) GABRG2GABRB3GABRA2KDM4EMAPT
SCHEMBL2655844 0.85 GABRG2 (0.37) GABRG2GABRB3GABRA2LMNAGAA
SCHEMBL2660785 0.85 GABRG2 (0.43) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2658318 0.85 GABRG2 (0.37) 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 CRHR1 60/4885GABRG2 592/4885GABRB3 332/4885

“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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