SCHEMBL12425326

SCHEMBL12425326

CC(=O)Nc1cc(Nc2cc(-c3ccccc3F)nc3ncccc23)ncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.51
ADORA3 P0DMS8 5/20 0.51
ABCG2 Q9UNQ0 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
DHODH Q02127 1/20 0.40
ADORA1 P30542 4/20 0.40
NUDT1 P36639 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
ADORA2B P29275 1/20 0.39
JAK1 P23458 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
SCHEMBL12425329 0.90 ABCG2 (0.41) ADORA2AADORA3ABCG2KDM4EMEN1
SCHEMBL12426284 0.90 IGF1R (0.41) ADORA2AADORA3ABCG2L3MBTL1JAK1
SCHEMBL12426544 0.88 ADORA1 (0.43) ADORA2AADORA3ALDH1A1DHODHADORA1
SCHEMBL12424831 0.84 GSK3B (0.45) ADORA2AMAPTADORA1ADORA2B
SCHEMBL12425320 0.83 CYP1A2 (0.41) ADORA2AKDM4EDHODHADORA1F2
SCHEMBL12424774 0.81 IGF1R (0.40) KDM4EMEN1KMT2ATGFBR1CYP3A4
SCHEMBL2299819 0.80 TGFBR1 (0.47) KDM4EDHODHF2F10F7
SCHEMBL12425340 0.80 IGF1R (0.41) TGFBR1
SCHEMBL12426286 0.79 IGF1R (0.39) TGFBR1CYP3A4
SCHEMBL12424696 0.79 CDK9 (0.39) ADORA2AADORA3ALDH1A1HTTADORA1

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 ADORA2A 132/4885ADORA3 59/4885ABCG2 175/4885

“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.