SCHEMBL2320748

SCHEMBL2320748

Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(CCN4CCCC4)c3)c2)c2cccnc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.40
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
CDK19 Q9BWU1 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
KDR P35968 4/20 0.36
CYP11B2 P19099 1/20 0.35
DRD4 P21917 1/20 0.35
ACP1 P24666 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR6 P50406 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL2321729 0.94 MAPK1 (0.42) KDRCYP11B2MAPK1JAK2JAK1
SCHEMBL13968474 0.94 KDR (0.36) METCCNCCDK8CDK19KDR
SCHEMBL12440239 0.93 MET (0.40) METCCNCCDK8CDK19SIGMAR1
SCHEMBL12439724 0.93 PAICS (0.37) METCCNCCDK8CDK19KDR
SCHEMBL2327583 0.92 MET (0.41) METCCNCCDK8CDK19KDR
SCHEMBL13968291 0.92 MET (0.39) METCCNCCDK8CDK19SIGMAR1
SCHEMBL2328404 0.91 MET (0.42) METCCNCCDK8CDK19SIGMAR1
SCHEMBL2365126 0.90 BRAF (0.38) METCCNCCDK8CDK19SIGMAR1
SCHEMBL19791324 0.90 MAPK1 (0.39) KDRCYP11B2MAPK1FLT1FLT4
SCHEMBL13835050 0.89 MET (0.40) METCCNCCDK8CDK19SIGMAR1

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 15 patents. 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
EP-2531500-B1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-8614226-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2013-12-24 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-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-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D MET 2262/4885CCNC 907/4885CDK8 1149/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D MET 2262/4885CCNC 907/4885CDK8 1149/4885

“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.