SCHEMBL1615501

SCHEMBL1615501

C[C@H](O)CONC(=O)c1cc(F)c2cncn2c1Nc1ccc(Br)cc1F

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.61
KCNH2 Q12809 3/20 0.56
MAP2K1 Q02750 16/20 0.46
ABCB11 O95342 1/20 0.44
NQO2 P16083 1/20 0.44
MAP2K2 P36507 1/20 0.44

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
SCHEMBL29683588 1.00 CYP2C9 (0.61) CYP2C9KCNH2MAP2K1ABCB11NQO2
SCHEMBL18789311 0.90 CYP2C9 (0.62) CYP2C9KCNH2MAP2K1MAP2K2
SCHEMBL1616174 0.90 CYP2C9 (0.76) CYP2C9KCNH2MAP2K1MAP2K2
SCHEMBL29683541 0.90 CYP2C9 (0.76) CYP2C9KCNH2MAP2K1MAP2K2
SCHEMBL1616128 0.88 KCNH2 (0.63) CYP2C9KCNH2MAP2K1ABCB11NQO2
SCHEMBL29683678 0.88 KCNH2 (0.63) CYP2C9KCNH2MAP2K1ABCB11NQO2
SCHEMBL15234391 0.87 KCNH2 (0.51) CYP2C9KCNH2MAP2K1ABCB11NQO2
SCHEMBL18789057 0.84 CYP2C9 (0.63) CYP2C9KCNH2MAP2K1MAP2K2
SCHEMBL29683722 0.82 KCNH2 (0.81) CYP2C9KCNH2MAP2K1ABCB11NQO2
SCHEMBL1616083 0.82 KCNH2 (0.81) CYP2C9KCNH2MAP2K1ABCB11NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923456-B2 5-anilinoimidazo[1,5-a]-pyridines inhibitors of MEK kinase GENENTECH, INC. (US) 2011-04-12 US claimed
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
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 (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-10946093-B2 Methods of treating cancer using PD-1 axis binding antagonists and MEK inhibitors CD274, PDCD1, PDCD1LG2 CYP2C9 4843/4885KCNH2 4598/4885MAP2K1 13/4885
US-10646567-B2 Methods of treating cancer using PD-1 axis binding antagonists and MEK inhibitors CD274, PDCD1, PDCD1LG2 CYP2C9 4843/4885KCNH2 4598/4885MAP2K1 13/4885
US-20180021431-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 CYP2C9 4843/4885KCNH2 4598/4885MAP2K1 13/4885
US-20120309765-A1 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE MKI67, PCNA, TYMP CYP2C9 3917/4885KCNH2 2040/4885MAP2K1 999/4885
US-20110158990-A1 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE MKI67, PCNA, TYMP CYP2C9 3917/4885KCNH2 2040/4885MAP2K1 999/4885
US-20100004269-A1 5-ANILINOIMIDAZOPYRIDINES AND METHODS OF USE MKI67, MAP3K5, MAPKAPK5 CYP2C9 2665/4885KCNH2 1382/4885MAP2K1 64/4885
US-20170112925-A1 METHODS OF TREATING CANCER USING PD-1 AXIS BINDING ANTAGONISTS AND MEK INHIBITORS CD274, PDCD1, PDCD1LG2 CYP2C9 4843/4885KCNH2 4598/4885MAP2K1 13/4885

“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.