SCHEMBL5880539

SCHEMBL5880539

COc1cc2nc(N3CCc4c(CN5CCC(O)CC5)cccc4C3)[nH]c(=O)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ MAPT P10636 2/20 0.45
▸ KDR P35968 3/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ HBB P68871 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ EHMT2 Q96KQ7 3/20 0.41
▸ TNKS O95271 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.41
▸ NTSR1 P30989 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5880456 0.92 THRB (0.51) POLBSMN1; SMN2THRBMAPTKDR
SCHEMBL5880625 0.90 MAPT (0.46) POLBSMN1; SMN2THRBMAPTKDR
SCHEMBL5880555 0.90 MAPT (0.48) POLBSMN1; SMN2THRBMAPTCASP1
SCHEMBL5880470 0.89 ALDH1A1 (0.46) POLBSMN1; SMN2THRBMAPTKDR
SCHEMBL5880464 0.86 KDM4E (0.46) POLBSMN1; SMN2THRBMAPTCASP1
SCHEMBL5880476 0.85 CASP1 (0.44) POLBSMN1; SMN2THRBMAPTCASP1
SCHEMBL5880557 0.85 CD274 (0.42) POLBSMN1; SMN2THRBMAPTKDR
SCHEMBL5880553 0.85 CD274 (0.42) POLBSMN1; SMN2THRBMAPTKDR
SCHEMBL5880482 0.82 CASP1 (0.42) POLBSMN1; SMN2THRBMAPTCASP1
SCHEMBL5880572 0.81 MGLL (0.45) POLBSMN1; SMN2THRBMAPTCASP1

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 7 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
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
EP-1363899-A1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-11-26 — — EP disclosed
US-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC 2003-04-10 — — US disclosed
WO-2002053558-A1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS F.HOFFMAN-LA ROCHE AG (CH) 2002-07-11 — — WO 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 POLB 1579/4885SMN1; SMN2 4038/4885THRB 268/4885
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B POLB 1594/4885SMN1; SMN2 4052/4885THRB 267/4885

“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.

Send feedback