SCHEMBL12439724

SCHEMBL12439724

Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(CCN4CCNCC4)c3)c2)c2cccnc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAICS P22234 1/20 0.37
KDR P35968 3/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
MAPK1 P28482 1/20 0.35
PIM1 P11309 5/20 0.35
BMPR1B O00238 3/20 0.34
ACVRL1 P37023 3/20 0.34
ACVR1 Q04771 3/20 0.34
ACVR1B P36896 2/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCD Q05655 1/20 0.34
FGFR1 P11362 2/20 0.34
FGFR2 P21802 2/20 0.34
FGFR4 P22455 2/20 0.34
FGFR3 P22607 2/20 0.34
FLT3 P36888 2/20 0.34
MET P08581 1/20 0.34
BMPR1A P36894 2/20 0.33

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
SCHEMBL2320748 0.93 MET (0.40) KDRCCNCCDK8CDK19MAPK1
SCHEMBL13968474 0.91 KDR (0.36) PAICSKDRCCNCCDK8CDK19
SCHEMBL2321729 0.91 MAPK1 (0.42) KDRMAPK1FGFR1JAK2JAK1
SCHEMBL19791324 0.88 MAPK1 (0.39) KDRMAPK1FGFR1
SCHEMBL12440239 0.86 MET (0.40) KDRCCNCCDK8CDK19MAPK1
SCHEMBL2327513 0.86 MET (0.42) METTGFBR1ABL1
SCHEMBL2327583 0.85 MET (0.41) KDRCCNCCDK8CDK19MAPK1
SCHEMBL13968291 0.85 MET (0.39) KDRCCNCCDK8CDK19MAPK1
SCHEMBL2328404 0.84 MET (0.42) KDRCCNCCDK8CDK19MAPK1
SCHEMBL12440010 0.84 MAPK1 (0.44) KDRMAPK1FGFR1TGFBR1JAK2

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 13 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
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

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 PAICS 2952/4885KDR 3701/4885CCNC 907/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D PAICS 2952/4885KDR 3701/4885CCNC 907/4885

“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.