SCHEMBL7276945

SCHEMBL7276945

O=C(O)c1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.80
▸ CYP3A4 P08684 6/20 0.80
▸ ALDH1A1 P00352 5/20 0.80
▸ CYP2D6 P10635 5/20 0.80
▸ PDE5A O76074 5/20 0.80
▸ CYP2C19 P33261 4/20 0.80
▸ MEN1 O00255 4/20 0.80
▸ KMT2A Q03164 4/20 0.80
▸ HSD17B10 Q99714 4/20 0.80
▸ TSHR P16473 4/20 0.80
▸ MAPK1 P28482 3/20 0.80
▸ CLK4 Q9HAZ1 3/20 0.80
▸ LMNA P02545 3/20 0.80
▸ GBA1 P04062 3/20 0.80
▸ USP2 O75604 2/20 0.80
▸ TP53 P04637 1/20 0.80
▸ PTGS1 P23219 1/20 0.80
▸ TBXAS1 P24557 1/20 0.80
▸ PTGS2 P35354 1/20 0.80
▸ POLB P06746 2/20 0.78

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
SCHEMBL7286130 0.90 PDE5A (1.00) CYP1A2CYP3A4ALDH1A1CYP2D6PDE5A
SCHEMBL7440031 0.88 PDE5A (0.73) CYP1A2CYP3A4ALDH1A1CYP2D6PDE5A
SCHEMBL20710514 0.86 CYP1A2 (0.72) CYP1A2CYP3A4ALDH1A1CYP2D6PDE5A
SCHEMBL7277274 0.86 CYP1A2 (1.00) CYP1A2CYP3A4ALDH1A1CYP2D6PDE5A
SCHEMBL7279569 0.85 PDE5A (0.77) CYP1A2CYP3A4ALDH1A1CYP2D6PDE5A
Hydrochloric Acid SCHEMBL7289619 0.84 PDE5A (0.76) CYP1A2CYP3A4ALDH1A1CYP2D6PDE5A
SCHEMBL7280049 0.83 ALDH1A1 (0.80) CYP1A2CYP3A4ALDH1A1CYP2D6PDE5A
Hydrochloric Acid SCHEMBL7287894 0.83 ALDH1A1 (0.79) CYP1A2CYP3A4ALDH1A1CYP2D6PDE5A
SCHEMBL1064854 0.82 CYP1A2 (1.00) CYP1A2CYP3A4ALDH1A1CYP2D6PDE5A
SCHEMBL7432190 0.81 MAPT (0.74) CYP1A2CYP3A4ALDH1A1CYP2D6PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579496-B1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO (JP) 2001-11-14 — — EP claimed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 — — EP claimed
US-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives OSI PHARMACEUTICALS, INC. 2002-02-28 — — US disclosed
EP-0579496-B1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO (JP) 2001-11-14 — — EP disclosed
WO-1999059584-A1 COMBINATION OF PHENTOLAMINE AND CYCLIC GMP PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION SCHERING CORPORATION (US) 1999-11-25 — — WO disclosed
US-5439895-A Cardiovascular disorders; inhibitor of thromboxane A2 synthetase and cyclic guanosine 3',5'-monophosphate ONO PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 — — US disclosed
US-5436233-A Nervous system disorders ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-25 — — US disclosed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 — — EP 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 (1 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-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives VHL, MCL1, NFATC1 CYP1A2 1452/4885CYP3A4 834/4885ALDH1A1 1566/4885

“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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