SCHEMBL16879643

SCHEMBL16879643

CC(C)(C)OC(=O)Nc1cnc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.44
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
AAK1 Q2M2I8 3/20 0.40
P2RX3 P56373 2/20 0.40
MAPKAPK2 P49137 2/20 0.39
METAP1 P53582 1/20 0.39
TRPA1 O75762 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
LCK P06239 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
CDK1 P06493 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL21262226 0.88 ATR (0.44) ATRSTK17BSTK17AAAK1P2RX3
SCHEMBL25297301 0.87 ATR (0.41) ATRSTK17BSTK17AAAK1P2RX3
SCHEMBL30276680 0.87 ATR (0.41) ATRSTK17BSTK17AAAK1P2RX3
SCHEMBL535514 0.86 ATR (0.43) ATRAAK1P2RX3MAPKAPK2METAP1
SCHEMBL29364468 0.85 ATR (0.42) ATRSTK17BSTK17AAAK1P2RX3
SCHEMBL18369794 0.85 ATR (0.42) ATRSTK17BSTK17AAAK1P2RX3
SCHEMBL12584018 0.85 MAPKAPK2 (0.43) ATRAAK1P2RX3MAPKAPK2METAP1
SCHEMBL1581324 0.85 ATR (0.42) ATRSTK17BSTK17AAAK1P2RX3
SCHEMBL29948300 0.85 CYP17A1 (0.46) ATRAAK1P2RX3MAPKAPK2METAP1
SCHEMBL1970778 0.85 CYP17A1 (0.46) ATRAAK1P2RX3MAPKAPK2METAP1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702401-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2023-07-18 US disclosed
US-11702401-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2023-07-18 US disclosed
US-20220000847-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC (US) 2022-01-06 US disclosed
US-20220000847-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC (US) 2022-01-06 US disclosed
US-11053216-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2021-07-06 US disclosed
US-11053216-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2021-07-06 US disclosed
EP-3089971-B1 COMPOUNDS AND METHODS OF USE MEDIVATION TECH LLC (US) 2020-07-29 EP disclosed
EP-3089971-B1 COMPOUNDS AND METHODS OF USE MEDIVATION TECH LLC (US) 2020-07-29 EP disclosed
US-20200071296-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2020-03-05 US disclosed
US-20200071296-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2020-03-05 US disclosed
US-20180208577-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-07-26 US disclosed
US-20180208577-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-07-26 US disclosed
US-10030004-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2018-07-24 US disclosed
US-10030004-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2018-07-24 US disclosed
US-20160326137-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2016-11-10 US disclosed
US-20160326137-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2016-11-10 US disclosed
EP-3089971-A1 COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-11-09 EP disclosed
WO-2015103355-A1 COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-09 WO disclosed
WO-2015103355-A1 COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2015-07-09 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 (7 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-20220000847-A1 Compounds and Methods of Use TGFB2, TGFB1, HDGF ATR 1365/4885STK17B 2399/4885STK17A 1956/4885
US-11702401-B2 Compounds and methods of use TGFB2, TGFB1, HDGF ATR 1365/4885STK17B 2399/4885STK17A 1956/4885
US-10030004-B2 Compounds and methods of use TGFB2, TGFB1, HDGF ATR 1365/4885STK17B 2399/4885STK17A 1956/4885
US-20160326137-A1 Compounds and Methods of Use TGFB2, TGFB1, HDGF ATR 1365/4885STK17B 2399/4885STK17A 1956/4885
US-20200071296-A1 Compounds and Methods of Use TGFB2, TGFB1, HDGF ATR 1365/4885STK17B 2399/4885STK17A 1956/4885
US-11053216-B2 Compounds and methods of use TGFB2, TGFB1, HDGF ATR 1365/4885STK17B 2399/4885STK17A 1956/4885
US-20180208577-A1 Compounds and Methods of Use TGFB2, TGFB1, HDGF ATR 1365/4885STK17B 2399/4885STK17A 1956/4885

“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.