SCHEMBL8074732

SCHEMBL8074732

CC(C)(C)OC(=O)Nc1ccc(Cl)nc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.48
LCK P06239 3/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
CYP17A1 P05093 2/20 0.40
MAPKAPK2 P49137 2/20 0.40
METAP1 P53582 1/20 0.40
P2RX7 Q99572 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
BRD9 Q9H8M2 1/20 0.38

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
SCHEMBL15951249 0.88 ATR (0.43) ATRLCKKMT2ALMNACYP17A1
SCHEMBL25271015 0.86 ATR (0.45) ATRLCKCYP17A1MAPKAPK2METAP1
SCHEMBL12133550 0.86 LCK (0.46) ATRLCKKMT2ALMNACYP17A1
SCHEMBL6870765 0.86 ATR (0.44) ATRLCKKMT2ALMNACYP17A1
SCHEMBL16533461 0.84 ATR (0.43) ATRLCKKMT2ALMNACYP17A1
SCHEMBL16264333 0.84 ATR (0.46) ATRLCKKMT2ACYP17A1MAPKAPK2
SCHEMBL3710643 0.82 MAPKAPK2 (0.45) ATRLCKKMT2ALMNACYP17A1
SCHEMBL19384200 0.82 XPO1 (0.44) ATRLCKKMT2ALMNACYP17A1
SCHEMBL12133539 0.82 ATR (0.44) ATRLCKKMT2ALMNACYP17A1
SCHEMBL31120609 0.81 LCK (0.43) ATRLCKKMT2ALMNACYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021444-B2 Antiviral compounds Janssen Biopharma, Inc. (US) 2021-06-01 US disclosed
US-20190263754-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. (US) 2019-08-29 US disclosed
US-20180065932-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2018-03-08 US disclosed
US-20180065932-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2018-03-08 US disclosed
US-20150065504-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2015-03-05 US disclosed
US-20150065504-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2015-03-05 US disclosed
WO-2015026792-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. (US) 2015-02-26 WO disclosed
EP-2170339-B1 PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME (US) 2014-10-15 EP disclosed
US-8461189-B2 Pyridyl derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-8461189-B2 Pyridyl derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-20100324092-A1 PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-12-23 US disclosed
US-20100324092-A1 PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-12-23 US disclosed
US-20090156825-A1 Fluorescent compounds that bind to histone deacetylase MERCK SHARP & DOHME CORP. 2009-06-18 US disclosed
US-20090156825-A1 Fluorescent compounds that bind to histone deacetylase MERCK SHARP & DOHME CORP. 2009-06-18 US disclosed
WO-2009005638-A2 PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2009-01-08 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 (6 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-20190263754-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 ATR 1930/4885LCK 3440/4885KMT2A 4241/4885
US-20090156825-A1 Fluorescent compounds that bind to histone deacetylase HDAC1, HDAC3, HDAC11 ATR 4396/4885LCK 3388/4885KMT2A 145/4885
US-11021444-B2 Antiviral compounds MAVS, SARS1, ZC3HAV1 ATR 1930/4885LCK 3440/4885KMT2A 4241/4885
US-20180065932-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 ATR 1930/4885LCK 3440/4885KMT2A 4241/4885
US-20150065504-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 ATR 1930/4885LCK 3440/4885KMT2A 4241/4885
US-20100324092-A1 PYRIDYL AND PYRIMIDINYL DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS BRDT, HDAC5, HDAC1 ATR 449/4885LCK 441/4885KMT2A 111/4885

“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.