SCHEMBL5595499

SCHEMBL5595499

c1ccc(CNc2nc(Cn3ccnc3)nc3ccccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.65
TBXAS1 P24557 4/20 0.65
PTGS1 P23219 3/20 0.65
PTGS2 P35354 3/20 0.65
PDE3B Q13370 1/20 0.65
PDE3A Q14432 1/20 0.65
RAD52 P43351 1/20 0.53
ACHE P22303 2/20 0.53
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
UBE2N P61088 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RCE1 Q9Y256 1/20 0.52
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51

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
Hydrochloric Acid SCHEMBL7280328 0.99 PDE5A (0.63) PDE5ATBXAS1PTGS1PTGS2PDE3B
SCHEMBL5595125 0.87 PDE5A (0.69) PDE5ATBXAS1PTGS1PTGS2PDE3B
Hydrochloric Acid SCHEMBL7278512 0.86 PDE5A (0.69) PDE5ATBXAS1PTGS1PTGS2PDE3B
SCHEMBL7605721 0.80 ALDH1A1 (0.50) PDE5ATBXAS1PTGS1PTGS2PDE3B
SCHEMBL7611350 0.79 ALDH1A1 (0.49) PDE5ATBXAS1PTGS1PTGS2PDE3B
SCHEMBL7280806 0.79 PDE5A (1.00) PDE5ATBXAS1PTGS1PTGS2PDE3B
SCHEMBL7606571 0.78 ALDH1A1 (0.48) PDE5ATBXAS1PTGS1PTGS2PDE3B
Hydrochloric Acid SCHEMBL7279655 0.78 PDE5A (0.97) PDE5ATBXAS1PTGS1PTGS2PDE3B
SCHEMBL7607040 0.77 ALDH1A1 (0.48) PDE5ATBXAS1PTGS1PTGS2PDE3B
SCHEMBL4859938 0.76 RAD52 (0.69) PDE5ATBXAS1PTGS1PTGS2PDE3B

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 11 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
US-5436233-A Nervous system disorders ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-25 US claimed
EP-0579496-A1 4-Aminoquinazoline derivatives, and their use as medicine ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP claimed
US-20070197560-A1 cGMP PDE 5 inhibitors for inhalation in the treatment of sexual dysfunction NAEF RETO 2007-08-23 US disclosed
US-20040214831-A1 cGMP PDE 5 inhibitors for inhalation in the treatment of sexual dysfunction NAEF RETO 2004-10-28 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
US-20010055570-A1 Cyclic guanosine 3',5'-monophosphate phosphodiesterases (cGMP PDEs); using specified pyrazolopyrimidinone or aminoquinazoline derivatives NAEF RETO (CH) 2001-12-27 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 3794/4885TBXAS1 977/4885PTGS1 419/4885

“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.