SCHEMBL5880449

SCHEMBL5880449

Cc1cccc(-n2cnc3c2CCNC3)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.43
▸ XDH P47989 1/20 0.40
▸ HPGD P15428 8/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPK14 Q16539 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GRM1 Q13255 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35

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
SCHEMBL10095080 0.83 PDK2 (0.41) MCHR1
SCHEMBL16111137 0.72 HTR2C (0.43) ADRB1
SCHEMBL17868200 0.71 PDK2 (0.41) ADRB1HTR6MCHR1
SCHEMBL16035377 0.70 PLD1 (0.44) HPGDALDH1A1ALOX5SMN1; SMN2
SCHEMBL23431252 0.69 L3MBTL1 (0.43) ADRB1XDHHPGDALDH1A1L3MBTL1
SCHEMBL5880538 0.69 CLPP (0.48) NPC1RAB9ASIRT2
SCHEMBL3515976 0.68 HTR2C (0.34) MCHR1
SCHEMBL29689603 0.68 P2RX7 (0.44) —
SCHEMBL31675590 0.67 PTGS1 (0.33) ALDH1A1NPC1RAB9ASMN1; SMN2MCHR1
SCHEMBL20831669 0.67 HCAR1 (0.46) ALDH1A1MCHR1

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 ADRB1 1/4885XDH 52/4885HPGD 972/4885
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B ADRB1 1/4885XDH 43/4885HPGD 1008/4885

“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