SCHEMBL5880460

SCHEMBL5880460

COc1cc2nc(N3CCc4c(ncnc4N4CCC(O)CC4)C3)[nH]c(=O)c2cc1OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 1/20 0.41
▸ ENPP1 P22413 8/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ACHE P22303 2/20 0.39
▸ BACE1 P56817 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TNKS O95271 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ATR Q13535 1/20 0.37
▸ ATRIP Q8WXE1 1/20 0.37
▸ PDGFRB P09619 1/20 0.37

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
SCHEMBL5880632 0.90 ACHE (0.43) KITENPP1KDM4EALDH1A1ACHE
SCHEMBL5880586 0.89 ACHE (0.52) KITENPP1ACHEBACE1MAPT
SCHEMBL5880524 0.89 ALDH1A1 (0.43) KITENPP1KDM4EALDH1A1HSD17B10
SCHEMBL5880447 0.88 PDE10A (0.52) KDM4EALDH1A1MAPK1ACHEBACE1
SCHEMBL5880587 0.87 TNKS (0.53) KITTNKSPARP1TNKS2THRB
SCHEMBL5880463 0.85 KDM4E (0.42) KITKDM4EALDH1A1ACHEBACE1
SCHEMBL5880491 0.83 KIT (0.39) KITENPP1KDM4EMAPK1MAPT
SCHEMBL5880492 0.83 KIT (0.39) KITENPP1KDM4EMAPK1MAPT
SCHEMBL5880593 0.78 MAPT (0.40) KDM4EALDH1A1MAPK1MAPTPOLB
SCHEMBL5880511 0.76 MAPT (0.38) KDM4EALDH1A1MAPK1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091200-B2 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX U.S.A. LLC (US) 2006-08-15 — — US disclosed
CN-1237060-C Quinzolone derivatives as alpha IA/B adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2006-01-18 — — CN disclosed
US-6900220-B2 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2005-05-31 — — US disclosed
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists BECKER CYRUS K (US) 2005-05-19 — — US disclosed
EP-1363899-B1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-05-11 — — EP disclosed
US-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC 2003-04-10 — — 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 (2 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-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B KIT 2053/4885ENPP1 4064/4885KDM4E 3553/4885
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B KIT 1951/4885ENPP1 4028/4885KDM4E 3461/4885

“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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