SCHEMBL4092403

SCHEMBL4092403

Cc1cccc(C(=O)N=C=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.46
KCNK3 O14649 2/20 0.46
KCNK9 Q9NPC2 2/20 0.46
KCNH2 Q12809 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 3/20 0.45
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ENPP3 O14638 1/20 0.41
ALPL P05186 1/20 0.41
XIAP P98170 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL3395919 0.86 L3MBTL1 (0.43) PARP1HDAC8HDAC6MEN1KMT2A
SCHEMBL3049569 0.84 PARP1 (0.52) PARP1HDAC8HDAC6SMN1; SMN2MEN1
Butanedione SCHEMBL28856348 0.83 FURIN (0.38) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL5555845 0.82 TDP1 (0.40) HDAC8HDAC6SMN1; SMN2MEN1KMT2A
SCHEMBL3898425 0.81 HDAC8 (0.50) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL3208606 0.80 TPMT (0.48) PARP1KMT2AHPGDPOLBNPC1
SCHEMBL10802915 0.79 PARP1 (0.59) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL13749055 0.79 PARP1 (0.59) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL9117144 0.78 CES2 (0.57) PARP1HDAC6SMN1; SMN2MEN1KMT2A
SCHEMBL28864381 0.78 PARP1 (0.53) PARP1SMN1; SMN2MEN1KMT2AHPGD

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
US-9096573-B2 6-, 7-, or 8-substituted quinazolinone derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2015-08-04 US disclosed
US-20130289274-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2013-10-31 US disclosed
US-8492395-B2 7-substituted quinazolinone compounds and compositions comprising the same CELGENE CORPORATION (US) 2013-07-23 US disclosed
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 US disclosed
US-20090226819-A1 ELECTROLYTIC SOLUTION AND SECONDARY BATTERY SONY CORPORATION (JP) 2009-09-10 US disclosed
US-20090226819-A1 ELECTROLYTIC SOLUTION AND SECONDARY BATTERY SONY CORPORATION (JP) 2009-09-10 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
US-20090093504-A1 6-, 7-, or 8-Substituted Quinazolinone Derivatives and Compositions Comprising and Methods of Using the Same CELGENE CORPORATION 2009-04-09 US disclosed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 US disclosed
US-5346907-A Cholecystokinin antagonists used in treatment or prevention of disorders of gastrointestinal, central nervous, appetite regulating or pain regulating systems ABBOTT LABORATORIES (US) 1994-09-13 US disclosed
CN-1063103-A BENZODIAZEPINE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 1992-07-29 CN disclosed
EP-0045423-B1 PROCESS FOR THE ALPHA-HALOGENATION OF POSSIBLY SUBSTITUTED METHYL AROMATICS BAYER AG (DE) 1984-02-22 EP disclosed
EP-0047496-A1 Sulfonyl ureas, processes for their production, pharmaceutical compositions based on these compounds and their use HOECHST AKTIENGESELLSCHAFT (DE) 1982-03-17 EP disclosed
EP-0045423-A1 Process for the alpha-halogenation of possibly substituted methyl aromatics BAYER AG (DE) 1982-02-10 EP disclosed
US-4072712-A FROM ISOCYANATES, CATALYSIS BAYER AKTIENGESELLSCHAFT (DT) 1978-02-07 US 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 (6 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO PARP1 935/4885HDAC8 4333/4885HDAC6 4150/4885
US-20130289274-A1 6-, 7-, OR 8-SUBSTITUTED QUINAZOLINONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP2D6, CYP2B6 PARP1 3388/4885HDAC8 571/4885HDAC6 513/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PARP1 1089/4885HDAC8 4743/4885HDAC6 4814/4885
US-20090093504-A1 6-, 7-, or 8-Substituted Quinazolinone Derivatives and Compositions Comprising and Methods of Using the Same CYP3A7, CYP2D6, CYP2B6 PARP1 3388/4885HDAC8 571/4885HDAC6 513/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PARP1 1089/4885HDAC8 4743/4885HDAC6 4814/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP PARP1 1089/4885HDAC8 4743/4885HDAC6 4814/4885

“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.