SCHEMBL2804685

SCHEMBL2804685

C#Cc1ccc2nc(-n3ccnc3)nc(NCCOC)c2c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 0.70
▸ TBXAS1 P24557 3/20 0.54
▸ PDE3B Q13370 3/20 0.54
▸ PDE3A Q14432 3/20 0.54
▸ PTGS1 P23219 1/20 0.47
▸ PTGS2 P35354 1/20 0.47

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
SCHEMBL7280971 0.87 PDE5A (0.67) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7280272 0.86 PDE5A (0.52) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7440023 0.85 PDE5A (0.68) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7441696 0.85 PDE5A (0.58) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7373964 0.85 PDE5A (0.69) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7433378 0.85 PDE5A (0.57) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7277884 0.85 PDE5A (0.57) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL688671 0.85 PDE5A (0.74) PDE5ATBXAS1PDE3BPDE3APTGS1
Hydrochloric Acid SCHEMBL7437740 0.84 PDE5A (0.57) PDE5ATBXAS1PDE3BPDE3APTGS1
SCHEMBL7428140 0.84 PDE5A (0.56) PDE5ATBXAS1PDE3BPDE3APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2241565-A1 Aurora kinase inhibitors compounds Universität Leipzig (DE) 2010-10-20 — — EP claimed
US-20030203899-A1 Drugs for incontinence NICOX S.A. (FR) 2003-10-30 — — US claimed
US-20030171393-A1 Drugs for sex dysfunctions NICOX S.A. (FR) 2003-09-11 — — US claimed
US-5436233-A Nervous system disorders ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-25 — — US claimed
EP-2241565-A1 Aurora kinase inhibitors compounds Universität Leipzig (DE) 2010-10-20 — — EP disclosed
EP-2241565-A1 Aurora kinase inhibitors compounds Universität Leipzig (DE) 2010-10-20 — — EP disclosed
WO-2010081881-A1 AURORA KINASE INHIBITORS COMPOUNDS. UNIVERSITÄT LEIPZIG (DE) 2010-07-22 — — WO disclosed
EP-1363628-A2 DRUGS FOR SEX DYSFUNCTIONS NICOX S.A. (FR) 2003-11-26 — — EP disclosed
US-20030203899-A1 Drugs for incontinence NICOX S.A. (FR) 2003-10-30 — — US disclosed
US-20030171393-A1 Drugs for sex dysfunctions NICOX S.A. (FR) 2003-09-11 — — US disclosed
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
WO-2002011706-A2 DRUGS FOR SEX DYSFUNCTIONS NICOX S.A. (FR) 2002-02-14 — — WO 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 (3 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-20030171393-A1 Drugs for sex dysfunctions SRD5A1, SRD5A2, XDH PDE5A 18/4885TBXAS1 697/4885PDE3B 38/4885
US-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives VHL, MCL1, NFATC1 PDE5A 3794/4885TBXAS1 977/4885PDE3B 3026/4885
US-20030203899-A1 Drugs for incontinence PDE3A, NOS1, PDE3B PDE5A 5/4885TBXAS1 585/4885PDE3B 3/4885

“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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