SCHEMBL393305

SCHEMBL393305

CC(C)(C)OC(=O)c1cccc(B(O)ON)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
STAT3 P40763 2/20 0.43
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
F2 P00734 8/20 0.38
TMPRSS6 Q8IU80 4/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL22960551 0.87 SLC7A5 (0.46) SLC7A5STAT3CA12CA1CA2
SCHEMBL3789286 0.84 CA12 (0.39) SLC7A5STAT3CA12CA1CA2
SCHEMBL521171 0.84 SLC7A5 (0.49) SLC7A5STAT3CA12CA1CA2
SCHEMBL899028 0.83 SLC7A5 (0.48) SLC7A5STAT3CA12CA1CA2
SCHEMBL5919272 0.81 CA12 (0.49) SLC7A5STAT3CA12CA1CA2
SCHEMBL4323915 0.80 ALDH1A1 (0.41) ALDH1A1TDP1
SCHEMBL18707121 0.79 SLC7A5 (0.47) SLC7A5STAT3CA12CA1CA2
SCHEMBL110296 0.79 SLC7A5 (0.58) SLC7A5STAT3CA12CA1CA2
SCHEMBL27408427 0.78 SLC7A5 (0.55) SLC7A5STAT3CA12CA1CA2
SCHEMBL3784943 0.78 CA12 (0.33) SLC7A5STAT3CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034169-A1 NOVEL PYRIMIDOPYRIDINE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2025-01-30 US disclosed
EP-4417606-A1 NOVEL PYRIMIDOPYRIDINE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2024-08-21 EP disclosed
WO-2023061463-A1 NOVEL PYRIMIDOPYRIDINE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 广东东阳光药业有限公司 2023-04-20 WO disclosed
CN-115974896-A Novel pyrimidopyridine compounds, pharmaceutical compositions thereof and uses thereof 广东东阳光药业有限公司 2023-04-18 CN disclosed
US-20190352300-A1 PYRROLOPYRIMIDINE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ACLARIS THERAPEUTICS, INC. (US) 2019-11-21 US disclosed
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
US-10316038-B2 Pyrrolopyrimidine ITK inhibitors for treating inflammation and cancer ACLARIS THERAPEUTICS, INC. (US) 2019-06-11 US disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
US-20190106439-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER CONFLUENCE LIFE SCIENCES, INC. 2019-04-11 US disclosed
US-10150783-B2 Heterocyclic ITK inhibitors for treating inflammation and cancer ACLARIS THERAPEUTICS, INC. (US) 2018-12-11 US disclosed
US-8101602-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors Kudos Pharmaceuticals, Ltd. (GB) 2012-01-24 US disclosed
US-20110124638-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2011-05-26 US disclosed
US-7902189-B2 antitumor agent, anticarcinogenic agents; 7-Chloro-2-((2S,6R)-2,6-dimethyl-morpholin-4-yl)-4-morpholin-4-yl-pyrido[2,3-d]pyrimidine; inhibitors of mTOR kinase ASTRAZENECA AB (SE) 2011-03-08 US disclosed
US-7723369-B2 Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors TRANSTECH PHARMA, INC. (US) 2010-05-25 US disclosed
US-20100113331-A1 Substituted Imidazole Derivatives, Compositions, and Methods of Use as PtPase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-05-06 US disclosed
EP-1991544-A2 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS PTPASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-19 EP disclosed
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 US disclosed
US-20080081809-A1 Novel Compounds KUDOS PHARMACEUTICALS LIMITED (GB) 2008-04-03 US disclosed
US-20070191385-A1 Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors VTV THERAPEUTICS LLC 2007-08-16 US disclosed
WO-2007089857-A2 SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS PTPASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-09 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 (11 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-20190106439-A1 HETEROCYCLIC ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, NFKBIA, TNNI3K SLC7A5 4716/4885STAT3 830/4885CA12 4814/4885
US-10316038-B2 Pyrrolopyrimidine ITK inhibitors for treating inflammation and cancer ITK, PDXK, WEE1 SLC7A5 4362/4885STAT3 1860/4885CA12 4864/4885
US-20070191385-A1 Substituted imidazole derivatives, compositions, and methods of use as PTPase inhibitors PTP4A1, PTPRJ, PTP4A2 SLC7A5 3532/4885STAT3 1993/4885CA12 3603/4885
US-20250034169-A1 NOVEL PYRIMIDOPYRIDINE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 SLC7A5 948/4885STAT3 920/4885CA12 4332/4885
US-20100113331-A1 Substituted Imidazole Derivatives, Compositions, and Methods of Use as PtPase Inhibitors PTP4A1, PTPRJ, PTP4A2 SLC7A5 3532/4885STAT3 1993/4885CA12 3603/4885
US-20190352300-A1 PYRROLOPYRIMIDINE ITK INHIBITORS FOR TREATING INFLAMMATION AND CANCER ITK, PDXK, WEE1 SLC7A5 4362/4885STAT3 1860/4885CA12 4864/4885
US-10150783-B2 Heterocyclic ITK inhibitors for treating inflammation and cancer ITK, NFKBIA, TNNI3K SLC7A5 4716/4885STAT3 830/4885CA12 4814/4885
US-20110124638-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR SLC7A5 1252/4885STAT3 537/4885CA12 4844/4885
US-20080081809-A1 Novel Compounds SLC10A1, ABCB11, PKD1 SLC7A5 1187/4885STAT3 364/4885CA12 740/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK SLC7A5 2348/4885STAT3 715/4885CA12 4872/4885
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A SLC7A5 482/4885STAT3 3483/4885CA12 4878/4885

“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.