SCHEMBL2320474

SCHEMBL2320474

Fc1ccccc1-c1cc(-c2cncc(-c3cnn(C4CCNCC4)c3)c2)c2cccnc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.53
ALK Q9UM73 4/20 0.47
MET P08581 4/20 0.47
PAK1 Q13153 2/20 0.46
PIM1 P11309 1/20 0.46
PAK4 O96013 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
MAP4K3 Q8IVH8 3/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
ERBB4 Q15303 1/20 0.43
FLT3 P36888 1/20 0.43
GRK2 P25098 1/20 0.42
GRK5 P34947 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
JAK2 O60674 1/20 0.42
ABL1 P00519 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42

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
Hydrochloric Acid SCHEMBL13834975 0.99 MAP4K1 (0.52) MAP4K1ALKMETPAK1PIM1
SCHEMBL2324841 0.92 MAP4K3 (0.47) MAP4K1ALKMETPAK1PIM1
SCHEMBL2321067 0.92 INPPL1 (0.50) MAP4K1ALKMETPAK1PIM1
Hydrochloric Acid SCHEMBL2324061 0.91 INPPL1 (0.49) MAP4K1ALKMETPAK1PIM1
SCHEMBL2323319 0.89 MET (0.43) MAP4K1METEGFRJAK2JAK1
SCHEMBL12527177 0.89 MAP4K1 (0.58) MAP4K1ALKMETPAK1PIM1
SCHEMBL2324969 0.89 MET (0.44) MAP4K1ALKMETPIM1MAP4K3
Hydrochloric Acid SCHEMBL2325279 0.88 MET (0.43) MAP4K1ALKMETPIM1MAP4K3
SCHEMBL12440741 0.88 PIM1 (0.42) MAP4K1ALKMETPIM1MAP4K3
SCHEMBL2365416 0.86 MAP4K1 (0.40) MAP4K1METPIM1EGFRJAK2

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 10 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-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
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
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 MAP4K1 3436/4885ALK 3020/4885MET 2262/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D MAP4K1 3436/4885ALK 3020/4885MET 2262/4885

“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.