SCHEMBL1393978

SCHEMBL1393978

CCN1CCc2nc(Nc3cc(Br)cn(C)c3=O)ccc2C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.49
▸ CDK4 P11802 14/20 0.41
▸ CCNE1 P24864 11/20 0.41
▸ CDK1 P06493 10/20 0.41
▸ CCNB1 P14635 10/20 0.41
▸ CCND3 P30281 3/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK6 Q00534 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.34

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
SCHEMBL1393120 0.87 BTK (0.38) BTKCDK4CDK1CDK2CDK6
SCHEMBL1392855 0.81 BTK (0.50) BTKCDK4CCNE1CDK1CCNB1
SCHEMBL10255910 0.78 MAPT (0.47) BTKCDK4CDK2CDK6JAK2
SCHEMBL1393892 0.78 CDK4 (0.40) CDK4CDK1CCND3CCNA2CDK2
Hydrochloric Acid SCHEMBL1394003 0.77 CDK4 (0.40) CDK4CDK1CCND3CCNA2CDK2
SCHEMBL10256111 0.74 BTK (0.47) BTK
SCHEMBL1392842 0.72 BTK (0.49) BTKCDK4CCNA2CDK2CDK6
SCHEMBL14913184 0.71 HTR3A (0.43) BTK
SCHEMBL31158079 0.71 HTR3A (0.43) BTK
SCHEMBL1393041 0.71 BTK (0.40) BTKCDK4

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 2/4885CDK4 146/4885CCNE1 1181/4885
US-20140057896-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK BTK 2/4885CDK4 146/4885CCNE1 1181/4885
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK BTK 2/4885CDK4 146/4885CCNE1 1181/4885
US-20180179229-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK BTK 2/4885CDK4 146/4885CCNE1 1181/4885
US-10053469-B2 Pyridone and aza-pyridone compounds and methods of use PDXK, BTK, LCK BTK 2/4885CDK4 146/4885CCNE1 1181/4885
US-20170073356-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK BTK 2/4885CDK4 119/4885CCNE1 1202/4885

“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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