SCHEMBL1393376

SCHEMBL1393376

O=C1NCCc2c1sc1ccccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.50
MAPKAPK2 P49137 3/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
PARP10 Q53GL7 5/20 0.41
PARP11 Q9NR21 5/20 0.41
CHEK1 O14757 1/20 0.41
PRKD1 Q15139 3/20 0.40
PRKD3 O94806 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
GRM5 P41594 1/20 0.40
PARP1 P09874 6/20 0.40
PDPK1 O15530 1/20 0.40
GPR3 P46089 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
SCHEMBL21152485 0.84 MAP3K9 (0.48) CDK1MAPKAPK2KDM4EMEN1HTT
SCHEMBL15467236 0.78 CDK1 (0.55) CDK1MAPKAPK2KDM4EMEN1CYP1A2
SCHEMBL6652104 0.78 CDK1 (0.58) CDK1MAPKAPK2KDM4EMEN1CYP1A2
SCHEMBL1393409 0.75 GPR3 (0.43) KDM4EMEN1HPGDHTTKMT2A
SCHEMBL5381430 0.73 TDP2 (0.40) CDK1KDM4EMEN1HTTKMT2A
SCHEMBL807457 0.73 MAP3K9 (0.45) KDM4EMEN1CYP1A2HPGDCYP2C19
SCHEMBL6650273 0.73 PRKD1 (0.38) CDK1MAPKAPK2KDM4EMEN1CYP1A2
SCHEMBL23878721 0.72 HSD17B10 (0.45) CDK1MAPKAPK2KDM4EMEN1KMT2A
SCHEMBL13833740 0.69 ILK (0.47) KDM4EMEN1KMT2A
SCHEMBL12013258 0.68 GPR3 (0.52) MEN1HPGDKMT2AGPR3

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20170073356-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GILEAD CONNECTICUT, INC. (US) 2017-03-16 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
US-9505785-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2016-11-29 US disclosed
US-9505785-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2016-11-29 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140057896-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2014-02-27 US disclosed
US-20140057896-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2014-02-27 US disclosed
US-20140057896-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2014-02-27 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-8618107-B2 Pyridone and aza-pyridone compounds and methods of use GILEAD CONNECTICUT, INC. (US) 2013-12-31 US disclosed
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2012-01-12 US disclosed
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2012-01-12 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 (7 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 CDK1 19/4885MAPKAPK2 274/4885KDM4E 1408/4885
US-20140057896-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK CDK1 19/4885MAPKAPK2 274/4885KDM4E 1408/4885
US-20120010191-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK CDK1 19/4885MAPKAPK2 274/4885KDM4E 1408/4885
US-20180179229-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK CDK1 19/4885MAPKAPK2 274/4885KDM4E 1408/4885
US-10053469-B2 Pyridone and aza-pyridone compounds and methods of use PDXK, BTK, LCK CDK1 19/4885MAPKAPK2 274/4885KDM4E 1408/4885
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 CDK1 637/4885MAPKAPK2 4140/4885KDM4E 530/4885
US-20170073356-A1 PYRIDONE AND AZA-PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, BTK, LCK CDK1 30/4885MAPKAPK2 348/4885KDM4E 1724/4885

“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.