SCHEMBL12440274

SCHEMBL12440274

Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccc(OCCN4CCOCC4)cc3)c2)c2cccnc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MET P08581 3/20 0.43
TGFBR1 P36897 2/20 0.42
FLT3 P36888 3/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
LRRK2 Q5S007 1/20 0.42
SRC P12931 3/20 0.42
KDR P35968 4/20 0.41
PRKAB1 Q9Y478 4/20 0.41
PRKAB2 O43741 3/20 0.41
FLT1 P17948 3/20 0.41
PRKAG1 P54619 3/20 0.41
PRKAA2 P54646 3/20 0.41

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
SCHEMBL12441219 0.93 ACHE (0.44) ACHETGFBR1KDRFLT1ACVR1
SCHEMBL12440257 0.89 TNIK (0.42) LRRK2KDRFLT1FLT4
SCHEMBL19791572 0.87 KDR (0.39) KDRFLT1FLT4
SCHEMBL12440260 0.85 WNT1 (0.46) FLT3
SCHEMBL2321729 0.85 MAPK1 (0.42) KDRFLT1FLT4MKNK1
SCHEMBL15460613 0.84 HCAR2 (0.40)
SCHEMBL19791324 0.83 MAPK1 (0.39) KDRFLT1FLT4MKNK1
SCHEMBL2327048 0.82 FLT3 (0.44) FLT3KDRFLT1FLT4
SCHEMBL246289 0.82 GRM4 (0.45) ACHENPC1RAB9AFLT3KDR
SCHEMBL12440280 0.81 MCHR1 (0.40) ACHEKDR

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 ACHE 2792/4885NPC1 261/4885RAB9A 860/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D ACHE 2792/4885NPC1 261/4885RAB9A 860/4885

“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.