SCHEMBL2329547

SCHEMBL2329547

OCCN1CCC(n2cc(-c3cncc(-c4cc(-c5ccccc5F)nc5ncccc45)c3)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.41
MAP4K1 Q92918 3/20 0.40
FEN1 P39748 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
BTK Q06187 1/20 0.38
KHK P50053 1/20 0.37
RAF1 P04049 1/20 0.37
MAP2K1 Q02750 1/20 0.37
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 2/20 0.37
JAK3 P52333 2/20 0.37
MYLK4 Q86YV6 1/20 0.36
STK17A Q9UEE5 1/20 0.36
ABL1 P00519 1/20 0.35

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
SCHEMBL12440059 0.92 MET (0.45) METFEN1BTKKHKRAF1
SCHEMBL2327444 0.92 MET (0.41) METFEN1BTKKHKRAF1
SCHEMBL2327026 0.90 FGFR1 (0.44) METMAP4K1RAF1MAP2K1
SCHEMBL2323319 0.90 MET (0.43) METMAP4K1JAK2JAK1TYK2
SCHEMBL2323396 0.86 MAP4K1 (0.40) METMAP4K1FEN1JAK2JAK1
SCHEMBL2365416 0.86 MAP4K1 (0.40) METMAP4K1FEN1JAK2JAK1
SCHEMBL12440269 0.86 MAP4K1 (0.40) METMAP4K1FEN1JAK2JAK1
SCHEMBL2320474 0.85 MAP4K1 (0.53) METMAP4K1JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL13834975 0.85 MAP4K1 (0.52) METMAP4K1
SCHEMBL2323346 0.84 FEN1 (0.47) METFEN1

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 16 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
EP-2531500-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2012-12-12 EP 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
CN-102741249-A Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH 2012-10-17 CN disclosed
WO-2011095196-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-11 WO 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 MET 2262/4885MAP4K1 3436/4885FEN1 1214/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D MET 2262/4885MAP4K1 3436/4885FEN1 1214/4885

“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.