SCHEMBL2324841

SCHEMBL2324841

Fc1ccc(F)c(-c2cc(-c3cncc(-c4cnn(C5CCNCC5)c4)c3)c3cccnc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 3/20 0.47
NTRK1 P04629 1/20 0.45
ALK Q9UM73 7/20 0.45
MET P08581 3/20 0.45
PIM1 P11309 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
SIK1 P57059 1/20 0.44
SIK3 Q9Y2K2 1/20 0.44
MAP4K1 Q92918 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
PAK1 Q13153 1/20 0.43

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
SCHEMBL2321067 0.93 INPPL1 (0.50) MAP4K3ALKMETPIM1CHRNB2
Hydrochloric Acid SCHEMBL2324061 0.93 INPPL1 (0.49) MAP4K3ALKMETPIM1CHRNB2
SCHEMBL2320474 0.92 MAP4K1 (0.53) MAP4K3ALKMETPIM1CHRNB2
Hydrochloric Acid SCHEMBL13834975 0.91 MAP4K1 (0.52) MAP4K3ALKMETPIM1CHRNB2
SCHEMBL2324969 0.90 MET (0.44) MAP4K3ALKMETPIM1MAP4K1
SCHEMBL12440741 0.90 PIM1 (0.42) MAP4K3ALKMETPIM1MAP4K1
Hydrochloric Acid SCHEMBL2325279 0.90 MET (0.43) MAP4K3ALKMETPIM1MAP4K1
SCHEMBL12439733 0.89 MET (0.46) MAP4K3NTRK1MET
SCHEMBL12440059 0.86 MET (0.45) NTRK1MET
SCHEMBL13834364 0.84 FGFR1 (0.44) NTRK1MET

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 15 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
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 MAP4K3 3231/4885NTRK1 4085/4885ALK 3020/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D MAP4K3 3231/4885NTRK1 4085/4885ALK 3020/4885

“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.