SCHEMBL14925534

SCHEMBL14925534

CC(C)c1cc2c(s1)COCC2

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.36
PDK1 Q15118 1/20 0.32
CFTR P13569 1/20 0.31

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
SCHEMBL16854836 0.86 PRKDC (0.36) PRKDC
SCHEMBL14930416 0.76 PNMT (0.43) PDK1CFTR
SCHEMBL13160139 0.74 PRKDC (0.33) PRKDC
SCHEMBL12090941 0.73 ALDH1A1 (0.45)
SCHEMBL2737322 0.73 ALDH1A1 (0.49)
SCHEMBL19441931 0.73 KCNH2 (0.35) PDK1
SCHEMBL13351708 0.72 ALDH1A1 (0.47)
SCHEMBL5455584 0.72 LIMK1 (0.38) PDK1CFTR
SCHEMBL22817550 0.71 PRKDC (0.36) PRKDCPDK1
SCHEMBL19441928 0.68 PNMT (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2023-09-07 US disclosed
US-20190194203-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2019-06-27 US disclosed
WO-2018045971-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海海和药物研究开发有限公司 2018-03-15 WO disclosed
US-20180071286-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2018-03-15 US disclosed
US-20180071286-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2018-03-15 US disclosed
US-9782405-B2 Heteroaryl pyridone and aza-pyrodine compounds GENENTECH, INC. (US) 2017-10-10 US disclosed
US-20160340322-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-11-24 US disclosed
EP-3085695-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2016-10-26 EP disclosed
US-20160228432-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2016-08-11 US disclosed
US-9238655-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2016-01-19 US disclosed
WO-2015093534-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR 日産化学工業株式会社 2015-06-25 WO disclosed
US-8921353-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2014-12-30 US disclosed
US-20140378432-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH INC (US) 2014-12-25 US disclosed
US-20140194408-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2014-07-10 US disclosed
US-8716274-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2014-05-06 US disclosed
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 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-20190194203-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK PRKDC 64/4885PDK1 741/4885CFTR 4641/4885
US-20160228432-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK PRKDC 64/4885PDK1 741/4885CFTR 4641/4885
US-20180071286-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK PRKDC 64/4885PDK1 741/4885CFTR 4641/4885
US-20160340322-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G PRKDC 4577/4885PDK1 3727/4885CFTR 1351/4885
US-20230279012-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 PRKDC 118/4885PDK1 798/4885CFTR 4349/4885
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 PRKDC 244/4885PDK1 797/4885CFTR 3635/4885
US-20140378432-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 PRKDC 118/4885PDK1 798/4885CFTR 4349/4885
US-20140194408-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 PRKDC 244/4885PDK1 797/4885CFTR 3635/4885

“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.