SCHEMBL891

SCHEMBL891

CCCc1nn(CC)c(C(N)=O)c1N

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
TERT O14746 5/20 0.38
ALDH1A1 P00352 1/20 0.33
RIPK2 O43353 1/20 0.32
LCK P06239 1/20 0.32
KDR P35968 1/20 0.32
TGFBR1 P36897 1/20 0.32
RECQL P46063 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 2/20 0.31
IKBKB O14920 1/20 0.31
HSP90AA1 P07900 1/20 0.31
GAA P10253 1/20 0.30
LMNA P02545 1/20 0.30
USP2 O75604 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL3586257 0.82 TERT (0.43) SMN1; SMN2TERTALDH1A1RECQLMAPT
SCHEMBL617 0.81 SMN1; SMN2 (0.61) SMN1; SMN2TERTALDH1A1KDRMAPT
Hydrochloric Acid SCHEMBL7813040 0.80 SMN1; SMN2 (0.60) SMN1; SMN2TERTALDH1A1KDRMAPT
SCHEMBL6338207 0.80 ALDH1A1 (0.44) SMN1; SMN2TERTALDH1A1NPC1GAA
SCHEMBL6442195 0.80 SMN1; SMN2 (0.39) SMN1; SMN2TERTALDH1A1NPC1HSP90AA1
SCHEMBL6443054 0.78 SMN1; SMN2 (0.40) SMN1; SMN2TERTALDH1A1MAPTGAA
SCHEMBL13662767 0.78 SMN1; SMN2 (0.43) SMN1; SMN2TERTALDH1A1RIPK2MAPT
SCHEMBL6361850 0.78 SMN1; SMN2 (0.50) SMN1; SMN2TERTALDH1A1MAPTNPC1
SCHEMBL10733772 0.77 GAA (0.47) SMN1; SMN2ALDH1A1KDRMAPTNPC1
SCHEMBL1295 0.77 SMN1; SMN2 (0.72) SMN1; SMN2TERTALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1793828-A4 FIBRATE COMPOUNDS HAVING PPAR AGONIST ACTIVITY REDDYS LAB LTD DR (IN) 2009-09-02 EP disclosed
US-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity DR. REDDY'S LABORATORIES LIMITED (IN) 2008-05-15 US disclosed
US-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity DR. REDDY'S LABORATORIES LIMITED (IN) 2008-05-15 US disclosed
US-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity DR. REDDY'S LABORATORIES LIMITED (IN) 2008-05-15 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-1793828-A2 FIBRATE COMPOUNDS HAVING PPAR AGONIST ACTIVITY Dr. Reddy's Laboratories Ltd. (IN) 2007-06-13 EP 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
WO-2006029075-A2 FIBRATE COMPOUNDS HAVING PPAR AGONIST ACTIVITY DR. REDDY'S LABORATORIES LTD. (IN) 2006-03-16 WO disclosed
CN-1629163-A Pyrazolopyrimidine compounds for prevention and cure of impotence and frigidity INST OF RADIATION MEDICINE THE (CN) 2005-06-22 CN disclosed
US-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
US-5719283-A INHIBITORS OF PHOSPHODIESTERASES; CARDIOVASCULAR DISORDERS PFIZER INC. (US) 1998-02-17 US disclosed
CN-1028758-C Pyrazolopyrimidinone antianginal agents PFIZER (US) 1995-06-07 CN 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
CN-1057464-A Pyrazolopyrimidinoneantianginal antianginal agents PFIZER (US) 1992-01-01 CN 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-20070219220-A1 Pyrazolopyrimidinethione Derivatives, Salts and Solvates Thereof, Preparation Methods and Use Thereof PDE5A, PDE3B, PDE3A SMN1; SMN2 2988/4885TERT 2239/4885ALDH1A1 463/4885
US-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity PPARA, PPARD, PPARG SMN1; SMN2 2913/4885TERT 2061/4885ALDH1A1 1248/4885

“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.