SCHEMBL12426544

SCHEMBL12426544

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 7/20 0.43
ADORA2A P29274 7/20 0.43
ADORA3 P0DMS8 4/20 0.43
ADORA2B P29275 1/20 0.40
RAF1 P04049 1/20 0.39
TGFBR1 P36897 4/20 0.39
WNT1 P04628 2/20 0.39
DHODH Q02127 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
EGFR P00533 1/20 0.35
ERBB3 P21860 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
SCHEMBL12424696 0.91 CDK9 (0.39) ADORA1ADORA2AADORA3RAF1TGFBR1
SCHEMBL12424683 0.91 EGFR (0.39) ADORA1RAF1TGFBR1EGFRERBB3
SCHEMBL12425326 0.88 ADORA2A (0.51) ADORA1ADORA2AADORA3ADORA2BTGFBR1
SCHEMBL12424691 0.84 CDK9 (0.40) ADORA1ADORA2AADORA3RAF1TGFBR1
SCHEMBL12424831 0.80 GSK3B (0.45) ADORA1ADORA2AADORA2BWNT1DYRK1A
SCHEMBL12425321 0.80 TGFBR1 (0.43) TGFBR1WNT1CYP1A2CYP3A4
SCHEMBL12425320 0.80 CYP1A2 (0.41) ADORA1ADORA2ATGFBR1DHODHF2
SCHEMBL12424786 0.80 EGFR (0.44) ADORA1ADORA2AADORA3TGFBR1EGFR
SCHEMBL12425348 0.80 EGFR (0.40) TGFBR1EGFRERBB3CYP3A4
SCHEMBL16181665 0.80 TGFBR1 (0.33) ADORA1TGFBR1WNT1ALDH1A1TSHR

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 ADORA1 107/4885ADORA2A 132/4885ADORA3 59/4885

“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.