SCHEMBL1393120

SCHEMBL1393120

CN1CCc2nc(Nc3cc(Br)cn(C)c3=O)ccc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.38
▸ CDK1 P06493 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK7 P50613 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ CDK6 Q00534 1/20 0.37
▸ MAP4K1 Q92918 3/20 0.37
▸ WEE1 P30291 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ BRD9 Q9H8M2 2/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33

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
SCHEMBL1393978 0.87 BTK (0.49) BTKCDK1CDK4CDK2CDK6
SCHEMBL1392855 0.84 BTK (0.50) BTKCDK1CDK4
SCHEMBL10255910 0.82 MAPT (0.47) BTKCDK4CDK2CDK6MAPT
SCHEMBL1393892 0.81 CDK4 (0.40) CDK1CDK4CDK2CDK7CDK9
Hydrochloric Acid SCHEMBL1394003 0.81 CDK4 (0.40) CDK1CDK4CDK2CDK7CDK9
SCHEMBL10265051 0.78 BPTF (0.41) BTKWEE1CYP2C9CYP2C19HTR6
SCHEMBL10255680 0.76 SYK (0.44) CYP2C19MAPTKDM4EBRD4ALDH1A1
SCHEMBL14913184 0.74 HTR3A (0.43) BTKMAP4K1KDM4EKCNH2ALDH1A1
SCHEMBL31158079 0.74 HTR3A (0.43) BTKMAP4K1KDM4EKCNH2ALDH1A1
SCHEMBL1392970 0.73 JAK2 (0.40) BTKCDK4CDK6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818724-B Pyridone and azapyridone compounds and methods of use 吉利德康涅狄格有限公司 2020-11-13 — — CN disclosed
CN-107253963-B Pyridone and azapyridone compounds and methods of use 吉利德康涅狄格有限公司 2020-04-14 — — CN disclosed
CN-110818724-A Pyridone and azapyridone compounds and methods of use 吉利德康涅狄格有限公司 2020-02-21 — — CN disclosed
US-10344040-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2019-07-09 — — US disclosed
US-10053469-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2018-08-21 — — US disclosed
US-20180179229-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2018-06-28 — — US disclosed
US-20170073356-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2017-03-16 — — US disclosed
US-9505785-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2016-11-29 — — US disclosed
EP-2566869-B1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT INC (US) 2016-03-02 — — EP disclosed
US-20140057896-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2014-02-27 — — US disclosed
US-8618107-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2013-12-31 — — US disclosed
EP-2566869-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE Gilead Connecticut, Inc. (US) 2013-03-13 — — EP disclosed
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2012-01-12 — — US disclosed
WO-2011140488-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2011-11-10 — — 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 (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-10344040-B2 Pyridone and aza-pyridone compounds and methods of use PDXK, BTK, LCK BTK 2/4885CDK1 19/4885CDK4 146/4885
US-20140057896-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK BTK 2/4885CDK1 19/4885CDK4 146/4885
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK BTK 2/4885CDK1 19/4885CDK4 146/4885
US-20180179229-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK BTK 2/4885CDK1 19/4885CDK4 146/4885
US-10053469-B2 Pyridone and aza-pyridone compounds and methods of use PDXK, BTK, LCK BTK 2/4885CDK1 19/4885CDK4 146/4885
US-20170073356-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK BTK 2/4885CDK1 30/4885CDK4 119/4885

“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.

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