SCHEMBL3865834

SCHEMBL3865834

CC(C)OC(=O)c1cnc(Cl)nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 5/20 0.43
JUN P05412 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA7 P43166 5/20 0.39
CA9 Q16790 5/20 0.39
CA14 Q9ULX7 5/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
ATF1 P18846 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL29827391 1.00 NFKB1 (0.43) NFKB1JUNNFKB2RELACA12
SCHEMBL27199300 0.84 L3MBTL1 (0.41) NFKB1JUNNFKB2RELAKDM4E
SCHEMBL21443520 0.81 MEN1 (0.44) ALDH1A1POLBMAPTNPC1MEN1
SCHEMBL25014139 0.81 ALDH1A1 (0.40) NFKB1JUNNFKB2RELACA12
SCHEMBL30110408 0.81 NFKB1 (0.46) NFKB1JUNNFKB2RELAKDM4E
SCHEMBL1602748 0.81 NFKB1 (0.46) NFKB1JUNNFKB2RELAKDM4E
SCHEMBL1320432 0.78 NFKB1 (0.49) NFKB1JUNNFKB2RELAATF1
SCHEMBL19282905 0.77 NFKB1 (0.43) NFKB1JUNNFKB2RELAKDM4E
SCHEMBL476310 0.77 ALDH1A1 (0.59) NFKB1KDM4EALDH1A1ATF1MAPT
SCHEMBL6643357 0.77 NFKB1 (0.49) NFKB1JUNNFKB2RELAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4444293-A2 METHODS OF PREPARING SUBSTITUTED PYRAZOLOPYRIMIDINES KSQ Therapeutics, Inc. (US) 2024-10-16 EP claimed
CN-118369094-A Process for preparing substituted pyrazolopyrimidines KSQ治疗公司 2024-07-19 CN claimed
WO-2023108048-A2 METHODS OF PREPARING SUBSTITUTED PYRAZOLOPYRIMIDINES KSQ Therapeutics, Inc. (US) 2023-06-15 WO claimed
US-20210309640-A1 PHARMACEUTICAL SALTS OF PYRIMIDINE DERIVATIVES AND METHOD OF TREATING DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-10-07 US claimed
EP-3793993-A1 PHARMACEUTICAL SALTS OF PYRIMIDINE DERIVATIVES AND METHOD OF TREATING DISORDERS ARIAD Pharmaceuticals, Inc. (US) 2021-03-24 EP claimed
CN-112313223-A Pharmaceutically acceptable salts of pyrimidine derivatives and methods of treating conditions 阿瑞雅德制药公司 2021-02-02 CN claimed
CN-119219605-A Bifunctional compound for targeted degradation of EGFR protein, and pharmaceutical composition, pharmaceutical preparation and application thereof 北京福元医药股份有限公司 2024-12-31 CN disclosed
CN-119019383-A Compounds used as kinase inhibitors and application thereof 郑州同源康医药有限公司 2024-11-26 CN disclosed
EP-4444293-A2 METHODS OF PREPARING SUBSTITUTED PYRAZOLOPYRIMIDINES KSQ Therapeutics, Inc. (US) 2024-10-16 EP disclosed
US-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-10-03 US disclosed
US-12084431-B2 Pharmaceutical salts of pyrimidine derivatives and method of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-09-10 US disclosed
CN-115175902-B Compounds used as kinase inhibitors and application thereof 郑州同源康医药有限公司 2024-07-26 CN disclosed
CN-118369094-A Process for preparing substituted pyrazolopyrimidines KSQ治疗公司 2024-07-19 CN disclosed
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
CN-1717396-A Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AG (DE) 2006-01-04 CN disclosed
EP-1565446-A1 CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-24 EP disclosed
US-20040186118-A1 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-09-23 US disclosed
WO-2004048343-A1 CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-10 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 (4 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-12084431-B2 Pharmaceutical salts of pyrimidine derivatives and method of treating disorders DPYD, TYMP, TYMS NFKB1 3225/4885JUN 1983/4885NFKB2 3521/4885
US-20210309640-A1 PHARMACEUTICAL SALTS OF PYRIMIDINE DERIVATIVES AND METHOD OF TREATING DISORDERS DPYD, TYMP, TYMS NFKB1 3351/4885JUN 1993/4885NFKB2 3655/4885
US-20040186118-A1 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents DCK, PDPK1, DTYMK NFKB1 1127/4885JUN 770/4885NFKB2 918/4885
US-20240327402-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACY WEE1, WEE2, EGFR NFKB1 2913/4885JUN 1237/4885NFKB2 3614/4885

“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.