SCHEMBL1027265

SCHEMBL1027265

Cc1ccc(C(=O)OC(C)(C)C)cc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALOX15 P16050 2/20 0.51
SLC7A5 Q01650 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
CASP1 P29466 2/20 0.45
GAA P10253 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GLA P06280 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44

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
SCHEMBL3990274 0.89 MAPT (0.47) MAPTTDP1ALOX15SLC7A5CA12
SCHEMBL3990269 0.87 MAPT (0.46) MAPTTDP1ALOX15SLC7A5CA12
SCHEMBL1028144 0.86 ALOX15 (0.48) MAPTTDP1ALOX15SLC7A5CA12
SCHEMBL11090176 0.86 ALOX15 (0.53) MAPTTDP1ALOX15SLC7A5CA12
SCHEMBL13948752 0.84 GABRA1 (0.48) MAPTTDP1ALOX15SLC7A5CA12
SCHEMBL1121892 0.83 ALOX15 (0.51) MAPTTDP1ALOX15SLC7A5CA12
SCHEMBL23093930 0.81 ALOX15 (0.50) MAPTTDP1ALOX15SLC7A5CA12
SCHEMBL2686416 0.81 ALOX15 (0.50) MAPTTDP1ALOX15SLC7A5CA12
SCHEMBL17184949 0.81 CA12 (0.47) ALOX15SLC7A5CA12CA1CA2
SCHEMBL277597 0.81 GABRA1 (0.49) MAPTALOX15SLC7A5CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530221-B2 Pyrimido[4,5-d]pyrimidin-2-one derivatives as protein kinase inhibitors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-20 US disclosed
US-11530221-B2 Pyrimido[4,5-d]pyrimidin-2-one derivatives as protein kinase inhibitors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2022-12-20 US disclosed
EP-3253749-B1 COMPOUNDS WITH ANTI-TUMORAL ACTIVITY AB SCIENCE (FR) 2021-12-08 EP disclosed
EP-3253749-B1 COMPOUNDS WITH ANTI-TUMORAL ACTIVITY AB SCIENCE (FR) 2021-12-08 EP disclosed
CN-112442105-A Novel pyrimido [4,5-d ] pyrimidin-2-one derivatives as protein kinase inhibitors 韩国科学技术研究院 2021-03-05 CN disclosed
US-20210061810-A1 PYRIMIDO[4,5-D]PYRIMIDIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2021-03-04 US disclosed
US-20210061810-A1 PYRIMIDO[4,5-D]PYRIMIDIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2021-03-04 US disclosed
WO-2021040422-A1 NOVEL PYRIMIDO[4,5-D]PYRIMIDINE-2-ONE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY 한국과학기술연구원 2021-03-04 WO disclosed
WO-2021040422-A1 NOVEL PYRIMIDO[4,5-D]PYRIMIDINE-2-ONE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY 한국과학기술연구원 2021-03-04 WO disclosed
EP-3053920-B1 COMPOUNDS WITH ANTI-TUMORAL ACTIVITY AB SCIENCE (FR) 2020-04-08 EP disclosed
EP-2953457-A2 ERK INHIBITORS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2015-12-16 EP disclosed
US-9145387-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-29 US disclosed
WO-2014124230-A2 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 WO disclosed
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 US disclosed
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed
US-4070353-A FOR PLASTICS AND PRINTING INKS, YELLOW TO ORANGE SHADES CIBA-GEIGY CORPORATION (US) 1978-01-24 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 (5 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-11530221-B2 Pyrimido[4,5-d]pyrimidin-2-one derivatives as protein kinase inhibitors LCK, CDK2, CDK5 MAPT 2881/4885TDP1 1101/4885ALOX15 3795/4885
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 MAPT 230/4885TDP1 4245/4885ALOX15 796/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 MAPT 1767/4885TDP1 744/4885ALOX15 933/4885
US-20210061810-A1 PYRIMIDO[4,5-D]PYRIMIDIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS LCK, CDK2, CDK5 MAPT 2218/4885TDP1 939/4885ALOX15 3991/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 MAPT 1618/4885TDP1 2390/4885ALOX15 3665/4885

“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.