SCHEMBL10779491

SCHEMBL10779491

CC(C)(C)c1nc2ccccc2c(=O)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.70
TNKS2 Q9H2K2 6/20 0.61
PARP1 P09874 5/20 0.61
TNKS O95271 4/20 0.59
QTRT1 Q9BXR0 1/20 0.56
ELANE P08246 1/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
KMT2A Q03164 2/20 0.50
MAOB P27338 1/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL29179948 0.86 PKM (0.66) PKMTNKS2PARP1TNKSQTRT1
SCHEMBL7530802 0.86 PKM (0.66) PKMTNKS2PARP1TNKSQTRT1
SCHEMBL7533742 0.84 PKM (0.72) PKMTNKS2PARP1TNKSQTRT1
SCHEMBL18923552 0.83 PKM (0.62) PKMTNKS2PARP1TNKSQTRT1
SCHEMBL29499008 0.83 PKM (0.62) PKMTNKS2PARP1TNKSQTRT1
SCHEMBL3118169 0.82 PKM (1.00) PKMTNKS2PARP1TNKSQTRT1
SCHEMBL894415 0.82 PKM (0.70) PKMTNKS2PARP1TNKSQTRT1
SCHEMBL30388114 0.82 PKM (1.00) PKMTNKS2PARP1TNKSQTRT1
SCHEMBL29179915 0.81 TNKS2 (0.59) PKMTNKS2PARP1TNKSQTRT1
SCHEMBL29179963 0.80 PKM (0.61) PKMTNKS2PARP1TNKSQTRT1

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
JP-62258368-A None JP disclosed
EP-4069709-B1 METAL COMPLEXES UDC IRELAND LTD (IE) 2025-04-23 EP disclosed
US-11337970-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-05-24 US disclosed
US-20220017474-A1 Novel Polycyclic Compound EUTEC NEW MATERIALS TECHNOLOGY (SUZHOU) CO., LTD. (CN) 2022-01-20 US disclosed
US-20210290613-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-23 US disclosed
US-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-11-12 US disclosed
US-9802949-B2 Fused ring compounds as hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-10-31 US disclosed
US-9670194-B2 Substituted aminopyrimidine compounds and methods of use CALITOR SCIENCES, LLC (US) 2017-06-06 US disclosed
US-9670194-B2 Substituted aminopyrimidine compounds and methods of use CALITOR SCIENCES, LLC (US) 2017-06-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20150307509-A1 FUSED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-29 US disclosed
US-20150299215-A1 SPIRO RING COMPOUND AS HEPATITIS C VIRUS (HCV) INHIBITOR AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-22 US disclosed
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-08-20 US disclosed
CN-104557738-A Green synthesis method of 4(3H)-quinazolinone UNIV HUNAN 2015-04-29 CN disclosed
US-20150087663-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-03-26 US disclosed
US-20150079028-A1 Bridged Ring compounds As Hepatitis C Virus (HCV) Inhibitors And Pharmaceutical Applications Thereof SUNSHINE LAKE PHARMA CO., LTD (CN) 2015-03-19 US disclosed
US-20100267633-A1 N-(4-Oxo-3,4-Dihydroquinazolin-2Yl) Butanamides as Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2010-10-21 US disclosed
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-18 US disclosed
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-18 US disclosed
JP-S62258368-A PRODUCTION OF QUINAZOLIN-4-ONE AGENCY OF IND SCIENCE & TECHNOL 1987-11-10 JP 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 (12 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-20150087663-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 PKM 820/4885TNKS2 485/4885PARP1 632/4885
US-20150299215-A1 SPIRO RING COMPOUND AS HEPATITIS C VIRUS (HCV) INHIBITOR AND USES THEREOF HAVCR2, SLC10A1, SORD PKM 1499/4885TNKS2 4062/4885PARP1 4459/4885
US-20200354367-A1 COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION XBP1, RNASE1, ERN1 PKM 2954/4885TNKS2 2192/4885PARP1 751/4885
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS HAVCR2, SLC10A1, SORD PKM 1879/4885TNKS2 3917/4885PARP1 4324/4885
US-20150307509-A1 FUSED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CUL4A, GTF3C4, HAVCR2 PKM 3693/4885TNKS2 3844/4885PARP1 2343/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR PKM 2544/4885TNKS2 3320/4885PARP1 2611/4885
US-11337970-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT PKM 2054/4885TNKS2 356/4885PARP1 832/4885
US-20220017474-A1 Novel Polycyclic Compound CUTA, DSG1, UACA PKM 2706/4885TNKS2 1752/4885PARP1 399/4885
US-20100267633-A1 N-(4-Oxo-3,4-Dihydroquinazolin-2Yl) Butanamides as Androgen Receptor Modulators AR, FSHR, SHBG PKM 1109/4885TNKS2 1609/4885PARP1 1093/4885
US-20150079028-A1 Bridged Ring compounds As Hepatitis C Virus (HCV) Inhibitors And Pharmaceutical Applications Thereof SLC10A1, HAVCR2, UGT1A3 PKM 2789/4885TNKS2 3873/4885PARP1 4233/4885
US-20210290613-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT PKM 2054/4885TNKS2 356/4885PARP1 832/4885
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS CTSA, SOST, CTSB PKM 3828/4885TNKS2 1393/4885PARP1 701/4885

“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.