SCHEMBL3316795

SCHEMBL3316795

CCCc1nn(C)c2c(=O)[nH]c(-c3ccccc3OC)nc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.82
KMT2A Q03164 2/20 0.82
PDE1A P54750 2/20 0.82
PDE1B Q01064 2/20 0.82
PDE1C Q14123 2/20 0.82
MEN1 O00255 1/20 0.82
ALDH1A1 P00352 1/20 0.82
HPGD P15428 1/20 0.82
PDE3B Q13370 3/20 0.74
PDE3A Q14432 3/20 0.74
MTOR P42345 1/20 0.64
PDE6C P51160 2/20 0.59
KDM4E B2RXH2 2/20 0.58
TERT O14746 1/20 0.55
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
PDE2A O00408 1/20 0.53
ABCC4 O15439 1/20 0.53
ABCC5 O15440 1/20 0.53

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 0.90 PDE5A (1.00) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL1202 0.90 PDE5A (1.00) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL799 0.89 PDE5A (0.86) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL31202656 0.89 PDE5A (0.86) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL6718781 0.89 PDE5A (0.85) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL5445759 0.87 PDE5A (0.63) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL6719476 0.87 PDE5A (0.81) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL1160 0.86 PDE5A (0.80) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL16972310 0.86 MTOR (0.68) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL6716699 0.85 PDE5A (0.79) PDE5AKMT2APDE1APDE1BPDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2010-05-06 US disclosed
US-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2009-03-19 US disclosed
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
EP-1395593-A4 NOVEL PYRAZOLOPYRIMIDINETHIONE DERIVATIVES. PREPARATION METHODS THEREOF AND THEIR USE AS THERAPEUTICS FOR ERECTILE DYSFUNCTION KOREA INST SCI & TECH (KR) 2004-11-10 EP disclosed
US-20040176371-A1 Novel pyrazolopyrimidinethione derivatives, preparation methods thereof and their use as therapeutics for erectile dysfunction KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-09-09 US disclosed
EP-1395593-A1 NOVEL PYRAZOLOPYRIMIDINETHIONE DERIVATIVES. PREPARATION METHODS THEREOF AND THEIR USE AS THERAPEUTICS FOR ERECTILE DYSFUNCTION KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-03-10 EP disclosed
WO-2002102802-A1 NOVEL PYRAZOLOPYRIMIDINETHIONE DERIVATIVES. PREPARATION METHODS THEREOF AND THEIR USE AS THERAPEUTICS FOR ERECTILE DYSFUNCTION KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2002-12-27 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 (4 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 1/4885KMT2A 3164/4885PDE1A 33/4885
US-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds HLA-DRB1, IL5, TNF PDE5A 1166/4885KMT2A 4338/4885PDE1A 2924/4885
US-20040176371-A1 Novel pyrazolopyrimidinethione derivatives, preparation methods thereof and their use as therapeutics for erectile dysfunction PDE3B, PDE3A, PDE5A PDE5A 3/4885KMT2A 4233/4885PDE1A 217/4885
US-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds HLA-DRB1, IL5, TNF PDE5A 1166/4885KMT2A 4338/4885PDE1A 2924/4885

“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.