SCHEMBL5880538

SCHEMBL5880538

Cc1cccc(-n2cnc3c2CCN(Cc2ccccc2)C3)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 5/20 0.48
▸ P2RX7 Q99572 2/20 0.43
▸ OPRK1 P41145 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40

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
SCHEMBL16135324 0.79 DRD4 (0.47) CLPPP2RX7PDK2MEN1KMT2A
SCHEMBL16036215 0.76 P2RX7 (0.51) CLPPP2RX7MEN1KMT2ANPC1
SCHEMBL14853095 0.68 MEN1 (0.60) ACHEMEN1KMT2ANPC1RAB9A
SCHEMBL22068913 0.66 CLPP (0.66) CLPPACHESIRT2DRD2DRD4
SCHEMBL17919674 0.66 SIGMAR1 (0.60) ACHEMEN1KMT2ANPC1RAB9A
SCHEMBL30023861 0.66 SIGMAR1 (0.60) ACHEMEN1KMT2ANPC1RAB9A
SCHEMBL24710142 0.65 CLPP (1.00) CLPP
SCHEMBL31141397 0.65 CLPP (1.00) CLPP
SCHEMBL14295646 0.65 C5AR1 (0.46) CLPPMEN1KMT2ANPC1RAB9A
SCHEMBL14111444 0.65 LIMK1 (0.49) MKNK1MEN1KMT2ANPC1RAB9A

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 5 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
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 CLPP 4535/4885P2RX7 326/4885OPRK1 13/4885
US-20050107365-A1 Quinazolone derivatives as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRB2, ADRA2B CLPP 4578/4885P2RX7 280/4885OPRK1 14/4885

“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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