SCHEMBL2298025

SCHEMBL2298025

Fc1ccc(Cl)cc1-c1cc(Nc2ccncc2OCCN2CCOCC2)c2cccnc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.42
FGFR1 P11362 4/20 0.42
FLT1 P17948 4/20 0.42
KDR P35968 4/20 0.42
FLT4 P35916 2/20 0.42
TGFBR1 P36897 2/20 0.41
TSHR P16473 1/20 0.41
GRM4 Q14833 2/20 0.40
PIM1 P11309 1/20 0.40
FLT3 P36888 1/20 0.40
PIM3 Q86V86 1/20 0.40
BAD Q92934 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
LATS1 O95835 1/20 0.39
LATS2 Q9NRM7 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
ATR Q13535 1/20 0.38
SRC P12931 2/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL12425335 0.96 TGFBR1 (0.46) EGFRFGFR1FLT1KDRFLT4
SCHEMBL12424816 0.84 TGFBR1 (0.44) TGFBR1
SCHEMBL12424676 0.84 TGFBR1 (0.46) FGFR1FLT1KDRTGFBR1
SCHEMBL246289 0.83 GRM4 (0.45) EGFRFGFR1FLT1KDRFLT4
SCHEMBL12425328 0.82 NR4A2 (0.44) TGFBR1
SCHEMBL248418 0.82 LATS1 (0.39) EGFRFGFR1FLT1KDRFLT4
SCHEMBL12425352 0.82 IDO1 (0.43) TGFBR1
SCHEMBL12424766 0.82 TGFBR1 (0.41) TGFBR1
SCHEMBL12424777 0.81 EGFR (0.43) EGFRFGFR1FLT1KDRFLT4
SCHEMBL3389931 0.79 NOS3 (0.44) EGFRFGFR1FLT1KDRTGFBR1

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-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-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
EP-2539336-A2 HETARYLAMINONAPHTHYRIDINES Merck Patent GmbH (DE) 2013-01-02 EP 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
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
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 EGFR 846/4885FGFR1 3063/4885FLT1 3561/4885

“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.