SCHEMBL12440253

SCHEMBL12440253

Fc1ccc(F)c(-c2cc(-c3cncc(-c4cccc(OC5CCNCC5)c4)c3)c3cccnc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 3/20 0.48
DYRK1A Q13627 4/20 0.44
CLK2 P49760 2/20 0.44
CLK3 P49761 2/20 0.44
ACVR1 Q04771 2/20 0.40
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
PRKCZ Q05513 2/20 0.37
F10 P00742 1/20 0.37
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
ACVRL1 P37023 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL13834871 0.92 WNT1 (0.44) WNT1DYRK1ACLK2CLK3ACVR1
SCHEMBL13834700 0.89 PRKCZ (0.40) WNT1DYRK1ACLK2CLK3PIM1
SCHEMBL19791678 0.84 ACP1 (0.41) WNT1DYRK1ACLK2CLK3ABCG2
SCHEMBL12440256 0.83 WNT1 (0.44) WNT1DYRK1ACLK2CLK3ACVR1
SCHEMBL19791357 0.80 F10 (0.37) WNT1DYRK1ACLK2CLK3PRKCZ
SCHEMBL2324841 0.79 MAP4K3 (0.47) PIM1
SCHEMBL12440860 0.79 JAK2 (0.40) WNT1DYRK1ACLK2
SCHEMBL19791418 0.76 SLC6A4 (0.36) WNT1DYRK1ACLK2CLK3
SCHEMBL13834312 0.75 RPS6KA3 (0.43) DYRK1ACLK2CLK3PIM1PIM3
SCHEMBL13834388 0.75 ABCG2 (0.48) PIM1ABCG2

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 12 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
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 WNT1 77/4885DYRK1A 3088/4885CLK2 2364/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D WNT1 77/4885DYRK1A 3088/4885CLK2 2364/4885

“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.