SCHEMBL5595129

SCHEMBL5595129

Clc1ccc2nc(Cc3ncc[nH]3)nc(NCc3ccccc3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.52
HTR3A P46098 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
PKM P14618 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
TYMS P04818 1/20 0.43
APP P05067 3/20 0.43
MAT2A P31153 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41

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 SCHEMBL7278529 0.99 PDE5A (0.53) PDE5AHTR3AHRH4PKMTAAR1
SCHEMBL7782817 0.87 RAD52 (0.53) PDE5APKMTAAR1KDM4EALDH1A1
SCHEMBL5595291 0.85 EGFR (0.42) PDE5ATAAR1KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL7289558 0.84 EGFR (0.41) PDE5ATAAR1KDM4EALDH1A1GAA
SCHEMBL432071 0.81 PDE5A (0.62) PDE5AHTR3AHRH4PKMKDM4E
SCHEMBL4652135 0.76 PDE5A (0.49) PDE5AHTR3AHRH4PKMKDM4E
SCHEMBL5595244 0.75 CSNK2A1 (0.47) KDM4EL3MBTL1PDE4D
SCHEMBL2590769 0.75 RAD52 (0.68) PDE5AHTR3AHRH4PKMKDM4E
SCHEMBL3638867 0.75 PDE5A (0.73) PDE5AHTR3AHRH4PKMKDM4E
Hydrochloric Acid SCHEMBL7277289 0.75 CSNK2A1 (0.46) KDM4EL3MBTL1PDE4D

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 9 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-1140044-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION Novartis AG (CH) 2001-10-10 EP disclosed
WO-2000037061-A2 cGMP PDE 5 INHIBITORS FOR INHALATION IN THE TREATMENT OF SEXUAL DYSFUNCTION NOVARTIS AG (CH) 2000-06-29 WO 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 3794/4885HTR3A 932/4885HRH4 261/4885

“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.