SCHEMBL12440256

SCHEMBL12440256

Fc1ccc(F)c(-c2cc(-c3cncc(-c4cccc(OCCN5CCNCC5)c4)c3)c3cccnc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 3/20 0.44
BMPR1B O00238 2/20 0.40
ACVRL1 P37023 2/20 0.40
ACVR1 Q04771 2/20 0.40
BMPR1A P36894 1/20 0.40
SYK P43405 2/20 0.39
ROCK1 Q13464 3/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MET P08581 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
BMP4 P12644 1/20 0.38
LTA4H P09960 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
ACVR1B P36896 1/20 0.37
BACE1 P56817 1/20 0.37
PIM1 P11309 1/20 0.36

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
SCHEMBL19791418 0.87 SLC6A4 (0.36) WNT1ROCK1CYP3A4CLK2CLK3
SCHEMBL12440260 0.86 WNT1 (0.46) WNT1CLK2CLK3DYRK1ALTA4H
SCHEMBL13834700 0.84 PRKCZ (0.40) WNT1CLK2CLK3DYRK1APIM1
SCHEMBL12440253 0.83 WNT1 (0.48) WNT1BMPR1BACVRL1ACVR1BMPR1A
SCHEMBL12441219 0.79 ACHE (0.44) WNT1BMPR1BACVRL1ACVR1BMPR1A
SCHEMBL19791678 0.78 ACP1 (0.41) WNT1CLK2CLK3DYRK1AHCAR2
SCHEMBL13834312 0.78 RPS6KA3 (0.43) SYKROCK1CLK2CLK3DYRK1A
SCHEMBL12440274 0.77 ACHE (0.46) ACVRL1ACVR1BMPR1AROCK1KDM4E
SCHEMBL12439724 0.77 PAICS (0.37) BMPR1BACVRL1ACVR1BMPR1AMET
SCHEMBL13834871 0.77 WNT1 (0.44) WNT1BMPR1BACVRL1ACVR1BMPR1A

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 77/4885BMPR1B 3973/4885ACVRL1 3955/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D WNT1 77/4885BMPR1B 3973/4885ACVRL1 3955/4885

“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.