SCHEMBL5880625

SCHEMBL5880625

COc1cc2nc(N3CCc4c(CN5CCCCC5)cccc4C3)[nH]c(=O)c2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ THRB P10828 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ HBB P68871 1/20 0.45
▸ TNKS O95271 2/20 0.45
▸ PARP1 P09874 2/20 0.45
▸ TNKS2 Q9H2K2 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ EHMT2 Q96KQ7 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KDR P35968 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL5880555 0.93 MAPT (0.48) MAPTTHRBCASP1HBBTNKS
SCHEMBL5880470 0.92 ALDH1A1 (0.46) MAPTTHRBCASP1HBBTNKS
SCHEMBL5880539 0.90 POLB (0.49) MAPTTHRBCASP1HBBTNKS
SCHEMBL5880456 0.89 THRB (0.51) MAPTTHRBCASP1HBBTNKS
SCHEMBL5880476 0.88 CASP1 (0.44) MAPTTHRBCASP1HBBALDH1A1
SCHEMBL5880464 0.88 KDM4E (0.46) MAPTTHRBCASP1HBBALDH1A1
SCHEMBL5880482 0.85 CASP1 (0.42) MAPTTHRBCASP1HBBALDH1A1
SCHEMBL5880599 0.85 TNKS (0.46) MAPTTHRBCASP1HBBTNKS
SCHEMBL5880557 0.85 CD274 (0.42) MAPTTHRBCASP1HBBPARP1
SCHEMBL5880553 0.85 CD274 (0.42) MAPTTHRBCASP1HBBPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900220-B2 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2005-05-31 — — US claimed
EP-1363899-B1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-05-11 — — EP claimed
EP-1363899-A1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2003-11-26 — — EP claimed
US-20030069230-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists SYNTEX (U.S.A.) LLC 2003-04-10 — — US claimed
WO-2002053558-A1 QUINAZOLONE DERIVATIVES AS ALPHA 1A/B ADRENERGIC RECEPTOR ANTAGONISTS F.HOFFMAN-LA ROCHE AG (CH) 2002-07-11 — — WO claimed
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 MAPT 3801/4885THRB 268/4885CASP1 3073/4885
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B MAPT 3776/4885THRB 267/4885CASP1 3397/4885

“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