SCHEMBL1615224

SCHEMBL1615224

CSc1ccc(Nc2c(C(=O)NOCCO)ccc3cncn23)c(F)c1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.76
CYP2C9 P11712 3/20 0.59
CYP2C19 P33261 2/20 0.47
MAP2K1 Q02750 14/20 0.46
MAP2K2 P36507 4/20 0.45
MAP2K5 Q13163 1/20 0.45
EIF2AK1 Q9BQI3 1/20 0.45
ABCB11 O95342 1/20 0.42
NQO2 P16083 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL1615623 0.90 KCNH2 (0.62) KCNH2CYP2C9CYP2C19MAP2K1MAP2K2
SCHEMBL16855029 0.88 KCNH2 (0.80) KCNH2CYP2C9CYP2C19MAP2K1MAP2K2
SCHEMBL1977165 0.88 KCNH2 (0.59) KCNH2CYP2C9CYP2C19MAP2K1MAP2K2
SCHEMBL12646887 0.88 CYP2C9 (0.76) KCNH2CYP2C9CYP2C19MAP2K1MAP2K2
SCHEMBL29684045 0.86 KCNH2 (0.80) KCNH2CYP2C9CYP2C19MAP2K1MAP2K2
SCHEMBL1615478 0.86 KCNH2 (0.80) KCNH2CYP2C9CYP2C19MAP2K1MAP2K2
Gdc-0623 SCHEMBL1615104 0.86 KCNH2 (1.00) KCNH2CYP2C9CYP2C19MAP2K1MAP2K2
Gdc-0623 SCHEMBL29450182 0.86 KCNH2 (1.00) KCNH2CYP2C9CYP2C19MAP2K1MAP2K2
SCHEMBL1615100 0.83 KCNH2 (0.75) KCNH2CYP2C9CYP2C19MAP2K1MAP2K2
SCHEMBL12646878 0.83 KCNH2 (0.75) KCNH2CYP2C9CYP2C19MAP2K1MAP2K2

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-10946093-B2 Methods of treating cancer using PD-1 axis binding antagonists and MEK inhibitors GENENTECH, INC. (US) 2021-03-16 US disclosed
US-10646567-B2 Methods of treating cancer using PD-1 axis binding antagonists and MEK inhibitors GENENTECH, INC. (US) 2020-05-12 US disclosed
EP-3563870-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS F. Hoffmann-La Roche AG (CH) 2019-11-06 EP disclosed
EP-3169361-B1 COMPOSITIONS FOR TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS HOFFMANN LA ROCHE (CH) 2019-06-19 EP disclosed
US-20180021431-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS GENENTECH, INC. (US) 2018-01-25 US disclosed
US-9724413-B2 Methods of treating cancer using PD-1 axis binding antagonists and MEK inhibitors GENENTECH, INC. (US) 2017-08-08 US disclosed
US-20170112925-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS GENENTECH, INC. (US) 2017-04-27 US disclosed
WO-2016011160-A1 COMPOSITIONS FOR TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS GENENTECH, INC. (US) 2016-01-21 WO disclosed
US-9206174-B2 5-anilinoimidazopyridines and methods of use GENENTECH, INC. (US) 2015-12-08 US disclosed
US-20140341902-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS GENENTECH, INC. (US) 2014-11-20 US disclosed
WO-2013019906-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS GENENTECH, INC. (US) 2013-02-07 WO disclosed
US-20120309765-A1 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE GENENTECH, INC. (US) 2012-12-06 US disclosed
US-8288408-B2 5-anilinoimidazopyridines and methods of use GENENTECH, INC. (US) 2012-10-16 US disclosed
US-20110158990-A1 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE GENENTECH, INC. (US) 2011-06-30 US disclosed
US-7923456-B2 5-anilinoimidazo[1,5-a]-pyridines inhibitors of MEK kinase GENENTECH, INC. (US) 2011-04-12 US disclosed
US-7923456-B2 5-anilinoimidazo[1,5-a]-pyridines inhibitors of MEK kinase GENENTECH, INC. (US) 2011-04-12 US disclosed
US-7923456-B2 5-anilinoimidazo[1,5-a]-pyridines inhibitors of MEK kinase GENENTECH, INC. (US) 2011-04-12 US disclosed
US-20100004269-A1 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE GENENTECH, INC. (US) 2010-01-07 US disclosed
US-20100004269-A1 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE GENENTECH, INC. (US) 2010-01-07 US disclosed
WO-2009085983-A1 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE GENENTECH, INC. (US) 2009-07-09 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 (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-10946093-B2 Methods of treating cancer using PD-1 axis binding antagonists and MEK inhibitors CD274, PDCD1, PDCD1LG2 KCNH2 4598/4885CYP2C9 4843/4885CYP2C19 4844/4885
US-10646567-B2 Methods of treating cancer using PD-1 axis binding antagonists and MEK inhibitors CD274, PDCD1, PDCD1LG2 KCNH2 4598/4885CYP2C9 4843/4885CYP2C19 4844/4885
US-20180021431-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 KCNH2 4598/4885CYP2C9 4843/4885CYP2C19 4844/4885
US-20120309765-A1 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE MKI67, PCNA, TYMP KCNH2 2040/4885CYP2C9 3917/4885CYP2C19 2724/4885
US-20110158990-A1 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE MKI67, PCNA, TYMP KCNH2 2040/4885CYP2C9 3917/4885CYP2C19 2724/4885
US-20140341902-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 KCNH2 4598/4885CYP2C9 4843/4885CYP2C19 4844/4885
US-20100004269-A1 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE MKI67, MAP3K5, MAPKAPK5 KCNH2 1382/4885CYP2C9 2665/4885CYP2C19 2022/4885
US-20170112925-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 KCNH2 4598/4885CYP2C9 4843/4885CYP2C19 4844/4885

“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.