SCHEMBL12424696

SCHEMBL12424696

CC(C)(C)CC(=O)Nc1cc(Nc2cc(-c3cc(F)ccc3F)nc3ncccc23)ncn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.39
POLB P06746 1/20 0.38
TGFBR1 P36897 5/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RAF1 P04049 1/20 0.36
ABL1 P00519 2/20 0.36
ADORA1 P30542 2/20 0.36
KCNQ3 O43525 2/20 0.35
KCNQ2 O43526 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
HPGD P15428 1/20 0.34
FAAH O00519 1/20 0.34
EGFR P00533 1/20 0.33
ERBB3 P21860 1/20 0.33

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
SCHEMBL12424691 0.93 CDK9 (0.40) CDK9POLBTGFBR1LMNAHTT
SCHEMBL12424683 0.92 EGFR (0.39) TGFBR1RAF1ADORA1EGFRERBB3
SCHEMBL12426544 0.91 ADORA1 (0.43) TGFBR1RAF1ADORA1ALDH1A1TSHR
SCHEMBL12425329 0.88 ABCG2 (0.41) CDK9POLBTGFBR1LMNAHTT
SCHEMBL12424697 0.85 POLB (0.46) POLBTGFBR1ALDH1A1FAAHEGFR
SCHEMBL12425321 0.82 TGFBR1 (0.43) TGFBR1
SCHEMBL12425348 0.82 EGFR (0.40) TGFBR1EGFRERBB3
SCHEMBL12424786 0.82 EGFR (0.44) TGFBR1ADORA1ADORA3ADORA2AEGFR
SCHEMBL12424774 0.81 IGF1R (0.40) TGFBR1EGFRERBB3
SCHEMBL12424827 0.81 ACP1 (0.39) CDK9TGFBR1EGFRERBB3

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 CDK9 936/4885POLB 3423/4885TGFBR1 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.