SCHEMBL320719

SCHEMBL320719

CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(Br)c3)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
MET P08581 5/20 0.49
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
GPR119 Q8TDV5 5/20 0.47
TTK P33981 1/20 0.45
FGFR1 P11362 2/20 0.45
FGFR2 P21802 2/20 0.45
FGFR4 P22455 2/20 0.45
FGFR3 P22607 2/20 0.45
KDR P35968 2/20 0.45
FLT3 P36888 2/20 0.45
TNK2 Q07912 1/20 0.45
LIPC P11150 1/20 0.44
RIPK2 O43353 1/20 0.44
UCHL1 P09936 1/20 0.43
USP30 Q70CQ3 1/20 0.43

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
SCHEMBL30701907 0.88 CCNC (0.51) CCNCCDK8METDDB1CRBN
SCHEMBL16899860 0.87 MET (0.52) CCNCCDK8METDDB1CRBN
SCHEMBL27892240 0.84 MET (0.40) CCNCCDK8METUCHL1USP30
SCHEMBL27890634 0.83 L3MBTL4 (0.44) MET
SCHEMBL1427617 0.83 DDB1 (0.56) CCNCCDK8DDB1CRBNGPR119
SCHEMBL2330627 0.83 MET (0.51) CCNCCDK8METDDB1CRBN
SCHEMBL2747908 0.82 TNK2 (0.50) CCNCCDK8METDDB1CRBN
SCHEMBL320089 0.82 CCNC (0.51) CCNCCDK8METDDB1CRBN
SCHEMBL1653749 0.81 TNK2 (0.56) CCNCCDK8METDDB1CRBN
SCHEMBL28657129 0.81 DDB1 (0.57) CCNCCDK8METDDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531500-B1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
US-9051318-B2 Pyrido [2, 3-B] pyrazine compounds and their therapeutical uses such as for inhibiting ATP consuming proteins and treating diseases associated therewith MERCK PATENT GMBH (DE) 2015-06-09 US disclosed
US-9051318-B2 Pyrido [2, 3-B] pyrazine compounds and their therapeutical uses such as for inhibiting ATP consuming proteins and treating diseases associated therewith MERCK PATENT GMBH (DE) 2015-06-09 US disclosed
US-9051307-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2015-06-09 US disclosed
US-9051318-B2 Pyrido [2, 3-B] pyrazine compounds and their therapeutical uses such as for inhibiting ATP consuming proteins and treating diseases associated therewith MERCK PATENT GMBH (DE) 2015-06-09 US disclosed
US-9051307-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2015-06-09 US disclosed
US-9051307-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2015-06-09 US disclosed
EP-2683715-B1 PYRIDO[2,3-B]PYRAZINE DERIVATIVES AND THEIR THERAPEUTICAL USES MERCK PATENT GMBH (DE) 2015-04-15 EP disclosed
EP-2683715-B1 PYRIDO[2,3-B]PYRAZINE DERIVATIVES AND THEIR THERAPEUTICAL USES MERCK PATENT GMBH (DE) 2015-04-15 EP disclosed
EP-2590946-B1 Bipyridyl derivatives useful for the treatment of kinase-induced diseases MERCK PATENT GMBH (DE) 2015-02-18 EP disclosed
US-20130102608-A1 BIPYRIDYL DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
EP-2531500-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2012-12-12 EP disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
WO-2012119690-A1 PYRIDO [2, 3 - B] PYRAZINE DERIVATIVES AND THEIR THERAPEUTICAL USES MERCK PATENT GMBH (DE) 2012-09-13 WO disclosed
WO-2012003912-A1 BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES MERCK PATENT GMBH (DE) 2012-01-12 WO disclosed
WO-2012003912-A1 BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES MERCK PATENT GMBH (DE) 2012-01-12 WO disclosed
WO-2011095196-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-11 WO disclosed
WO-2011095196-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-11 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 (2 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-20130102608-A1 BIPYRIDYL DERIVATIVES TGFBR1, TGFBR2, SMAD2 CCNC 1380/4885CDK8 1111/4885MET 341/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D CCNC 907/4885CDK8 1149/4885MET 2262/4885

“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.