SCHEMBL12425320

SCHEMBL12425320

Nc1cc(Nc2cc(-c3ccccc3F)nc3ncccc23)ncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TGFBR1 P36897 1/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
FEN1 P39748 4/20 0.36
ALOX5AP P20292 3/20 0.36
PIM3 Q86V86 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
DHODH Q02127 1/20 0.35
MAPK10 P53779 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
SYK P43405 1/20 0.35
MAPK3 P27361 1/20 0.35

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
SCHEMBL12424688 0.89 TGFBR1 (0.40) CYP1A2CYP3A4TGFBR1F2F10
SCHEMBL12424821 0.88 TGFBR1 (0.42) CYP3A4TGFBR1TRPV1
SCHEMBL12425347 0.86 TRPV1 (0.42) KDM4ETRPV1MAPK3MAP4K4PIM1
SCHEMBL12426530 0.86 SUCNR1 (0.33) TGFBR1F2F10F7F3
SCHEMBL2299819 0.85 TGFBR1 (0.47) CYP1A2CYP3A4TGFBR1F2F10
SCHEMBL12425326 0.83 ADORA2A (0.51) CYP1A2CYP3A4TGFBR1F2F10
SCHEMBL12426544 0.80 ADORA1 (0.43) CYP1A2CYP3A4TGFBR1F2F10
SCHEMBL14227397 0.80 MAP4K1 (0.32) CYP1A2NPC1TRPV1SYKMAPK3
SCHEMBL2302228 0.79 TGFBR1 (0.64) CYP1A2CYP3A4TGFBR1F2F10
SCHEMBL12424706 0.79 CYP1A2 (0.45) CYP1A2CYP3A4TGFBR1F2F10

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 CYP1A2 1450/4885CYP3A4 828/4885TGFBR1 3742/4885

“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.