SCHEMBL7278041

SCHEMBL7278041

CCNc1nc(-c2cccnc2)nc2ccccc12.c1cc2ccc1-2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 8/20 0.71
▸ PDE5A O76074 6/20 0.71
▸ CYP1A2 P05177 6/20 0.71
▸ CYP3A4 P08684 5/20 0.71
▸ CLK4 Q9HAZ1 5/20 0.71
▸ ALDH1A1 P00352 4/20 0.71
▸ TSHR P16473 4/20 0.71
▸ CYP2D6 P10635 3/20 0.71
▸ CYP2C19 P33261 3/20 0.71
▸ HSD17B10 Q99714 3/20 0.71
▸ LMNA P02545 3/20 0.71
▸ MAPK1 P28482 2/20 0.71
▸ MEN1 O00255 2/20 0.71
▸ KMT2A Q03164 2/20 0.71
▸ USP2 O75604 2/20 0.71
▸ TP53 P04637 1/20 0.71
▸ PTGS1 P23219 1/20 0.71
▸ TBXAS1 P24557 1/20 0.71
▸ PTGS2 P35354 1/20 0.71
▸ CYP2C9 P11712 1/20 0.70

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
SCHEMBL14475573 0.86 PDE5A (0.61) GBA1PDE5ACYP1A2CYP3A4CLK4
SCHEMBL7286130 0.83 PDE5A (1.00) GBA1PDE5ACYP1A2CYP3A4CLK4
SCHEMBL18354098 0.83 GBA1 (1.00) GBA1PDE5ACYP1A2CYP3A4CLK4
SCHEMBL18354436 0.83 GBA1 (1.00) GBA1PDE5ACYP1A2CYP3A4CLK4
SCHEMBL20273653 0.82 CYP1A2 (1.00) GBA1PDE5ACYP1A2CYP3A4CLK4
SCHEMBL7277274 0.82 CYP1A2 (1.00) GBA1PDE5ACYP1A2CYP3A4CLK4
SCHEMBL19286343 0.81 CYP1A2 (0.74) GBA1PDE5ACYP1A2CYP3A4CLK4
SCHEMBL17799903 0.81 SLC6A3 (0.71) GBA1PDE5ACYP1A2CYP3A4CLK4
SCHEMBL7278036 0.81 GBA1 (1.00) GBA1PDE5ACYP1A2CYP3A4CLK4
SCHEMBL16183734 0.80 PDE5A (0.64) GBA1PDE5ACYP1A2CYP3A4CLK4

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 GBA1 3263/4885PDE5A 3794/4885CYP1A2 1452/4885

“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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