SCHEMBL4698518

SCHEMBL4698518

C(=Cc1nc(NCc2ccccc2)c2ccccc2n1)c1cccnc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.79
ALDH1A1 P00352 7/20 0.61
CYP1A2 P05177 7/20 0.61
CYP3A4 P08684 7/20 0.61
CYP2D6 P10635 7/20 0.61
CYP2C19 P33261 7/20 0.61
KMT2A Q03164 6/20 0.61
TSHR P16473 5/20 0.61
MAPK1 P28482 5/20 0.61
HSD17B10 Q99714 5/20 0.61
MEN1 O00255 5/20 0.61
CLK4 Q9HAZ1 3/20 0.61
USP2 O75604 3/20 0.61
LMNA P02545 3/20 0.61
PTGS1 P23219 2/20 0.61
TBXAS1 P24557 2/20 0.61
PTGS2 P35354 2/20 0.61
GBA1 P04062 1/20 0.61
TP53 P04637 1/20 0.61
POLB P06746 2/20 0.58

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
SCHEMBL5595373 1.00 PDE5A (0.79) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7610843 0.79 ALDH1A1 (0.50) PDE5AALDH1A1LMNAGBA1
SCHEMBL7610846 0.79 ALDH1A1 (0.50) PDE5AALDH1A1LMNAGBA1
SCHEMBL7610184 0.79 GBA1 (0.50) PDE5AALDH1A1LMNAGBA1KDM4E
SCHEMBL7610192 0.79 GBA1 (0.50) PDE5AALDH1A1LMNAGBA1KDM4E
SCHEMBL9979080 0.79 PDE5A (0.64) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9979083 0.79 PDE5A (0.64) PDE5AALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7609635 0.78 ALDH1A1 (0.49) PDE5AALDH1A1LMNAGBA1
SCHEMBL7609640 0.78 ALDH1A1 (0.49) PDE5AALDH1A1LMNAGBA1
SCHEMBL7605570 0.77 FLT3 (0.49) PDE5AALDH1A1KMT2ALMNAGBA1

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 18 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
EP-1340748-B1 QUINAZOLINE DERIVATIVES AND DRUGS NIPPON SHINYAKU CO LTD (JP) 2008-01-16 EP disclosed
US-20070197560-A1 cGMP PDE 5 inhibitors for inhalation in the treatment of sexual dysfunction NAEF RETO 2007-08-23 US disclosed
US-7220751-B2 Quinazoline derivatives and drugs NIPPON SHINYAKU CO., LTD. (JP) 2007-05-22 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-20040034044-A1 Quinazoline derivatives and drugs NIPPON SHINYAKU CO., LTD. (JP) 2004-02-19 US disclosed
EP-1340748-A1 QUINAZOLINE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2003-09-03 EP 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
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
WO-1999059584-A1 COMBINATION OF PHENTOLAMINE AND CYCLIC GMP PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION SCHERING CORPORATION (US) 1999-11-25 WO 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 (2 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 3794/4885ALDH1A1 1566/4885CYP1A2 1452/4885
US-20040034044-A1 Quinazoline derivatives and drugs OPRL1, OPRK1, OPRD1 PDE5A 4121/4885ALDH1A1 3627/4885CYP1A2 1370/4885

“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.