SCHEMBL4043065

SCHEMBL4043065

Cn1cc(C#N)cc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
HDAC8 Q9BY41 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CASP3 P42574 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL6650788 0.87 TRIM24 (0.61) ATMTRIM24TRIM33CYP11B1CYP11B2
SCHEMBL2072141 0.82 ATM (0.40) ATMTRIM24TRIM33HDAC8
SCHEMBL17256958 0.73
SCHEMBL17256957 0.73
SCHEMBL2072144 0.70 HDAC8 (0.58) ATMTRIM24TRIM33HDAC8KDM4E
SCHEMBL1779094 0.70
SCHEMBL1995598 0.70 HDAC8 (0.39) HDAC8CASP3KDM4EALDH1A1GLA
SCHEMBL16271028 0.70
SCHEMBL5489913 0.70
SCHEMBL5393454 0.68

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3143055-A2 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS CONTAINING A CYANO GROUP Bridgestone Corporation (JP) 2017-03-22 EP claimed
WO-2015175280-A2 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS CONTAINING A CYANO GROUP BRIDGESTONE CORPORATION (JP) 2015-11-19 WO claimed
JP-11171886-A None JP disclosed
EP-3143055-A2 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS CONTAINING A CYANO GROUP Bridgestone Corporation (JP) 2017-03-22 EP disclosed
WO-2015175280-A2 POLYMERS FUNCTIONALIZED WITH PROTECTED OXIME COMPOUNDS CONTAINING A CYANO GROUP BRIDGESTONE CORPORATION (JP) 2015-11-19 WO disclosed
EP-1664052-B1 FUSED HETEROCYCLES AS INHIBITORS OF GLUTAMATE RACEMASE (MURI) ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-7371757-B2 Fused heterocycles as inhibitors of glutamate racemase(MURI) ASTRAZENECA AB (SE) 2008-05-13 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-20070004761-A1 Pyrazolo [3,4-d] pyrimidine derivatives and their use in the treatment of h.pylori infection HETERO DRUGS LIMITED (IN) 2007-01-04 US disclosed
EP-1585748-B1 PYRAZOLO 3,4-d PYRIMIDINE DERIVATIVES AND THEIR USE I N THE TREATMENT OF H.PYLORI INFECTION ASTRAZENECA AB (SE) 2006-12-27 EP disclosed
US-6740647-B1 AMIDINES AND HYDROXYAMIDINE DERIVATIVES ABBOTT GMBH & CO., KG (DE) 2004-05-25 US disclosed
EP-1412355-A1 NEW PYRAZOLO(3,4-D)PYRIMIDINES INHIBITING H. PYLORI INFECTIONS AstraZeneca AB (SE) 2004-04-28 EP disclosed
WO-2003002567-A1 NEW PYRAZOLO[3,4-D]PYRIMIDINES INHIBITING H. PYLORI INFECTIONS ASTRAZENECA AB (SE) 2003-01-09 WO disclosed
EP-1051431-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-11-15 EP disclosed
US-6114358-A Thrombin inhibitors BASF AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
EP-0956294-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1999-11-17 EP disclosed
WO-1999037668-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1999-07-29 WO disclosed
JP-H11171886-A PYPROLYLBENZIMIDAZOLE DERIVATIVE HAVING AMIDINE OR GUANIDINE IN SIDE CHAIN MITSUI CHEM INC 1999-06-29 JP disclosed
WO-1998006741-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-02-19 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-20070004761-A1 Pyrazolo [3,4-d] pyrimidine derivatives and their use in the treatment of h.pylori infection DPYD, TPMT, UMPS ATM 2580/4885TRIM24 4348/4885TRIM33 3419/4885

“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.