SCHEMBL169631

SCHEMBL169631

COc1cc(B(O)O)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
PKM P14618 1/20 0.44
ABL1 P00519 2/20 0.43
PIK3CD O00329 1/20 0.43
EGFR P00533 1/20 0.43
KDR P35968 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
BACE1 P56817 1/20 0.43
PRKDC P78527 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
ALDH1A1 P00352 5/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 3/20 0.40
EPHX1 P07099 1/20 0.40
LPAR1 Q92633 2/20 0.40
ABCB1 P08183 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39

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
SCHEMBL1676565 0.89 GAA (0.45) ALDH1A1GAAKDM4ENPSR1MAPT
SCHEMBL3784938 0.85 HPGD (0.44) CYP1A2HPGD
SCHEMBL1782547 0.85 ABL1 (0.39) HTTPKMABL1PIK3CDEGFR
SCHEMBL21682754 0.83 SMN1; SMN2 (0.44) HTTALDH1A1TSHRMAPTHPGD
SCHEMBL15457550 0.82 EPHX1 (0.57) HTTPKMABL1PIK3CDEGFR
SCHEMBL6134887 0.82 ATR (0.45) ALDH1A1GAAKDM4ECYP1A2HPGD
SCHEMBL1256341 0.82 CYP17A1 (0.50) HTTNPSR1LMNAPOLB
SCHEMBL29956067 0.82 CYP17A1 (0.50) HTTNPSR1LMNAPOLB
SCHEMBL2589170 0.81 ALDH1A1 (0.63) ALDH1A1GAAKDM4ELPAR1CYP1A1
SCHEMBL26796625 0.81 ALDH1A1 (0.48) HTTPKMABL1PIK3CDEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001845-A1 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS NESTED THERAPEUTICS INC (US) 2026-01-01 US disclosed
US-20250288571-A1 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS NESTED THERAPEUTICS, INC. 2025-09-18 US disclosed
CN-120129678-A Mitogen-activated protein kinase (MEK) inhibitors 耐斯泰德医疗公司 2025-06-10 CN disclosed
EP-4551558-A2 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS Nested Therapeutics, Inc. (US) 2025-05-14 EP disclosed
WO-2024010925-A2 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS NESTED THERAPEUTICS, INC. (US) 2024-01-11 WO disclosed
US-20230111917-A1 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2023-04-13 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2551270-B1 PYRAZOLOPYRIMIDINE DERIVATIVES FOR USE AS PI3 KINASE ANTAGONISTS UNIV CALIFORNIA (US) 2019-06-12 EP disclosed
US-10294227-B2 Compounds UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2019-05-21 US disclosed
US-20180127422-A1 COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2018-05-10 US disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO disclosed
US-20100009963-A1 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-14 US disclosed
US-7585868-B2 Substituted pyrazolo[3,4-D]pyrimidines as kinase antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-09-08 US disclosed
EP-2004654-A2 KINASE ANTAGONISTS The Regents of the University of California (US) 2008-12-24 EP disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 US disclosed
WO-2007114926-A2 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-11 WO disclosed
WO-2007104783-A2 1,4 -DI SUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPT0R MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2007-09-20 WO disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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 (8 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-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA HTT 3111/4885PKM 636/4885ABL1 225/4885
US-20180127422-A1 COMPOUNDS CBR3, OR10J3, CBR1 HTT 1074/4885PKM 4125/4885ABL1 269/4885
US-20260001845-A1 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS MAPK6, MAPK3, MAPK1 HTT 4858/4885PKM 2667/4885ABL1 64/4885
US-20230111917-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 HTT 2147/4885PKM 845/4885ABL1 137/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 HTT 2147/4885PKM 845/4885ABL1 137/4885
US-10294227-B2 Compounds CBR3, OR10J3, CBR1 HTT 1103/4885PKM 3946/4885ABL1 204/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE HTT 4311/4885PKM 396/4885ABL1 57/4885
US-20250288571-A1 MITOGEN-ACTIVATED PROTEIN KINASE (MEK) INHIBITORS BRAF, MAP3K1, MAP3K5 HTT 4781/4885PKM 562/4885ABL1 84/4885

“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.