SCHEMBL7277316

SCHEMBL7277316

CC(=O)Nc1ccc2nc(-c3cccnc3)nc(NCc3ccccc3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 13/20 0.70
▸ CYP1A2 P05177 5/20 0.65
▸ CYP3A4 P08684 5/20 0.65
▸ TSHR P16473 4/20 0.65
▸ ALDH1A1 P00352 4/20 0.65
▸ CYP2D6 P10635 4/20 0.65
▸ CYP2C19 P33261 4/20 0.65
▸ MAPK1 P28482 3/20 0.65
▸ HSD17B10 Q99714 3/20 0.65
▸ MEN1 O00255 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ CLK4 Q9HAZ1 3/20 0.65
▸ USP2 O75604 2/20 0.65
▸ LMNA P02545 2/20 0.65
▸ GBA1 P04062 1/20 0.65
▸ TP53 P04637 1/20 0.65
▸ PTGS1 P23219 1/20 0.65
▸ TBXAS1 P24557 1/20 0.65
▸ PTGS2 P35354 1/20 0.65
▸ MAPT P10636 2/20 0.59

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
SCHEMBL7442516 0.89 PDE5A (0.63) PDE5ACYP1A2CYP3A4TSHRALDH1A1
SCHEMBL7440031 0.85 PDE5A (0.73) PDE5ACYP1A2CYP3A4TSHRALDH1A1
SCHEMBL7435358 0.84 CYP1A2 (0.73) PDE5ACYP1A2CYP3A4TSHRALDH1A1
SCHEMBL7433275 0.83 PDE5A (0.68) PDE5ACYP1A2CYP3A4TSHRALDH1A1
SCHEMBL7411431 0.83 PDE5A (0.71) PDE5ACYP1A2CYP3A4TSHRALDH1A1
SCHEMBL7609160 0.82 CYP1A2 (0.55) PDE5ACYP1A2CYP3A4TSHRALDH1A1
SCHEMBL7281010 0.82 PDE5A (1.00) PDE5ACYP1A2CYP3A4TSHRALDH1A1
SCHEMBL7431815 0.82 PDE5A (0.76) PDE5ACYP1A2CYP3A4TSHRALDH1A1
SCHEMBL7436355 0.81 PDE5A (0.74) PDE5ACYP1A2CYP3A4TSHRALDH1A1
SCHEMBL7285873 0.81 PDE5A (0.78) PDE5ACYP1A2CYP3A4TSHRALDH1A1

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
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
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 PDE5A 3794/4885CYP1A2 1452/4885CYP3A4 834/4885

“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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