SCHEMBL735

SCHEMBL735

CCCc1nn(CC)c2c(=O)[nH]c(-c3ccccc3OCC)nc12

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.79
PDE1A P54750 5/20 0.79
PDE1B Q01064 5/20 0.79
PDE1C Q14123 5/20 0.79
KMT2A Q03164 2/20 0.79
MEN1 O00255 1/20 0.79
ALDH1A1 P00352 1/20 0.79
HPGD P15428 1/20 0.79
PDE3B Q13370 1/20 0.63
PDE3A Q14432 1/20 0.63
KDM4E B2RXH2 2/20 0.58
PDE6C P51160 1/20 0.57
POLB P06746 1/20 0.53
GUSB P08236 1/20 0.52

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
SCHEMBL31174349 0.88 PDE5A (1.00) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL1202 0.88 PDE5A (1.00) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL6339988 0.88 PDE5A (0.70) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL5459779 0.88 PDE5A (0.64) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL6340027 0.85 PDE5A (0.66) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL6332949 0.84 PDE5A (0.65) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL6330040 0.84 PDE5A (0.65) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL6340254 0.84 PDE5A (0.65) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL6334065 0.84 PDE5A (0.65) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL6340296 0.84 PDE5A (0.65) PDE5APDE1APDE1BPDE1CKMT2A

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
US-20070219220-A1 Pyrazolopyrimidinethione Derivatives, Salts and Solvates Thereof, Preparation Methods and Use Thereof THE INSTITUTE OF RADIATION MEDICINE, ACADEMY OF MILITARY MEDICAL SCIENCES, PLA (CN) 2007-09-20 US disclosed
EP-1695976-A1 PYRAZOLOPYRIMIDINETHIONE DERIVATIVES, SALTS AND SOLVATES THEREOF, PREPARATION METHODS AND USE THEREOF Institute of Radiation Medicine Academy of Military Medical Sciences of the Pla (CN) 2006-08-30 EP disclosed
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
EP-0463756-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1995-04-19 EP disclosed
US-5346901-A Treatment of angina, hypertension, heart failure and atherosclerosis PFIZER INC. (US) 1994-09-13 US disclosed
US-5250534-A Inhibitors of cyclic guanosine 3*,5*-monophosphate phosphodiesterase PFIZER INC. (US) 1993-10-05 US disclosed
EP-0463756-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1992-01-02 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-20070219220-A1 Pyrazolopyrimidinethione Derivatives, Salts and Solvates Thereof, Preparation Methods and Use Thereof PDE5A, PDE3B, PDE3A PDE5A 1/4885PDE1A 33/4885PDE1B 16/4885

“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.