SCHEMBL12425319

SCHEMBL12425319

Cn1cc(-c2cc(Nc3ccncc3)c3cccnc3n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALK Q9UM73 1/20 0.45
ACP1 P24666 1/20 0.43
FYN P06241 1/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
ERBB4 Q15303 1/20 0.40
MET P08581 3/20 0.40
TGFBR1 P36897 1/20 0.40
MCL1 Q07820 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
HIPK1 Q86Z02 1/20 0.39
HIPK4 Q8NE63 1/20 0.39
DYRK2 Q92630 1/20 0.39
HIPK2 Q9H2X6 1/20 0.39
HIPK3 Q9H422 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL2295488 0.81 TGFBR1 (0.45) ACP1TGFBR1IKBKETBK1TRPV1
SCHEMBL2294741 0.80 GRM4 (0.43) ACP1METTGFBR1TRPV1
SCHEMBL2298031 0.78 ACP1 (0.50) MAPTACP1TGFBR1TRPV1
SCHEMBL12424764 0.77 ALK (0.46) MAPTALKACP1TGFBR1MCL1
SCHEMBL2300145 0.76 TGFBR1 (0.44) ACP1TGFBR1TRPV1
SCHEMBL2298901 0.76 TGFBR1 (0.52) MAPTALKACP1TGFBR1TRPV1
SCHEMBL12425137 0.76 TGFBR1 (0.49) MAPTACP1TGFBR1
SCHEMBL2298659 0.74 TGFBR1 (0.70) ACP1TGFBR1TRPV1
SCHEMBL2300555 0.74 ABCG2 (0.52) ACP1TGFBR1TRPV1
SCHEMBL15976494 0.73 TGFBR1 (0.42) ACP1TGFBR1TRPV1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539336-B1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2014-10-22 EP disclosed
US-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 US disclosed
US-20120316166-A1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-13 US disclosed
WO-2011101069-A2 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2011-08-25 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 (1 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-20120316166-A1 HETARYLAMINONAPHTHYRIDINES ATP5ME, ATP5F1A, ATP5F1D MAPT 4809/4885ALK 2312/4885ACP1 3553/4885

“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.