SCHEMBL10289556

SCHEMBL10289556

Cn1cc(Br)cc(Nc2cc(C3CN(C(=O)OC(C)(C)C)C3)n[nH]2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ HTT P42858 1/20 0.36
▸ BRD4 O60885 3/20 0.35
▸ PLK1 P53350 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ USP30 Q70CQ3 2/20 0.35
▸ FPR2 P25090 3/20 0.35
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ KAT5 Q92993 1/20 0.33
▸ KAT8 Q9H7Z6 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ FPR3 P25089 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32

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
SCHEMBL28377732 0.83 IGF1R (0.42) IDO1TDO2HTTKDM4EUSP30
SCHEMBL173479 0.81 MAP2K1 (0.31) BRD4
SCHEMBL10255802 0.77 DDB1 (0.45) IDO1TDO2BRD4USP30FPR2
SCHEMBL30512276 0.72 PIK3CA (0.42) IDO1TDO2BRD4USP30
SCHEMBL10256055 0.72 PIK3CA (0.42) IDO1TDO2BRD4USP30
SCHEMBL10256545 0.71 BTK (0.44) IDO1TDO2BRD4USP30
SCHEMBL25524769 0.71 BTK (0.54) IDO1TDO2BRD4USP30
SCHEMBL30507867 0.71 BTK (0.54) IDO1TDO2BRD4USP30
SCHEMBL14925900 0.71 BTK (0.46) IDO1TDO2BRD4USP30FPR2
SCHEMBL10255931 0.71 HTT (0.43) HTTKDM4EMAPTTHRBCNR1

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 9 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-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-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 (3 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-20140057896-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK IDO1 197/4885TDO2 547/4885HTT 4756/4885
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK IDO1 197/4885TDO2 547/4885HTT 4756/4885
US-20170073356-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK IDO1 22/4885TDO2 447/4885HTT 4708/4885

“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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