SCHEMBL2325237

SCHEMBL2325237

CN1CCC(n2cc(-c3cncc(-c4cc(-c5ccccc5F)nc5ncccc45)n3)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
MAP4K1 Q92918 3/20 0.41
ACVR1 Q04771 2/20 0.39
DYRK1A Q13627 4/20 0.39
GSK3B P49841 3/20 0.39
MET P08581 2/20 0.39
FGFR1 P11362 2/20 0.38
FGFR2 P21802 2/20 0.38
FGFR3 P22607 2/20 0.38
WNT1 P04628 1/20 0.38
FLT3 P36888 1/20 0.38
SYK P43405 1/20 0.38
NTRK1 P04629 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
SCHEMBL2324165 0.92 MET (0.43) EGFRJAK2JAK1TYK2JAK3
SCHEMBL2328767 0.91 MET (0.42) EGFRJAK2JAK1TYK2JAK3
SCHEMBL2323319 0.90 MET (0.43) EGFRJAK2JAK1TYK2JAK3
SCHEMBL13834989 0.88 MAP4K1 (0.46) EGFRJAK2JAK1TYK2JAK3
SCHEMBL12440269 0.85 MAP4K1 (0.40) EGFRJAK2JAK1TYK2JAK3
SCHEMBL2323396 0.85 MAP4K1 (0.40) EGFRJAK2JAK1TYK2JAK3
SCHEMBL2365416 0.85 MAP4K1 (0.40) EGFRJAK2JAK1TYK2JAK3
SCHEMBL13834346 0.83 MAP4K1 (0.43) EGFRJAK2JAK1TYK2JAK3
SCHEMBL12439733 0.82 MET (0.46) EGFRJAK2JAK1TYK2JAK3
SCHEMBL12441209 0.82 MET (0.47) EGFRJAK2JAK1TYK2JAK3

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 EGFR 2504/4885JAK2 3649/4885JAK1 4484/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D EGFR 2504/4885JAK2 3649/4885JAK1 4484/4885

“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.