SCHEMBL13834871

SCHEMBL13834871

Fc1ccc(F)c(-c2cc(-c3cncc(-c4ccc(OC5CCNCC5)cc4)c3)c3cccnc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 2/20 0.44
PRKCZ Q05513 4/20 0.40
DYRK1A Q13627 4/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
PIM1 P11309 2/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
TDO2 P48775 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
ACVR1 Q04771 2/20 0.38
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1B P36896 1/20 0.37
TGFBR1 P36897 1/20 0.37
KCNH2 Q12809 1/20 0.37
SGK1 O00141 1/20 0.37
IKBKB O14920 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
SCHEMBL12440253 0.92 WNT1 (0.48) WNT1PRKCZDYRK1ACLK2CLK3
SCHEMBL19791357 0.85 F10 (0.37) WNT1PRKCZDYRK1ACLK2CLK3
SCHEMBL13834700 0.83 PRKCZ (0.40) WNT1PRKCZDYRK1ACLK2CLK3
SCHEMBL2324841 0.81 MAP4K3 (0.47) PIM1
SCHEMBL19791678 0.80 ACP1 (0.41) WNT1DYRK1ACLK2CLK3KCNH2
SCHEMBL12440256 0.77 WNT1 (0.44) WNT1DYRK1ACLK2CLK3PIM1
SCHEMBL12440793 0.76 TGFBR1 (0.36) WNT1DYRK1ACLK2CLK3TGFBR1
SCHEMBL12440286 0.76 PIK3CA (0.43)
SCHEMBL12440860 0.75 JAK2 (0.40) WNT1DYRK1ACLK2TGFBR1
SCHEMBL12441302 0.75 TLR7 (0.38) TDO2

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 11 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

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 77/4885PRKCZ 2283/4885DYRK1A 3088/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D WNT1 77/4885PRKCZ 2283/4885DYRK1A 3088/4885

“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.