SCHEMBL12425329

SCHEMBL12425329

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.41
TGFBR1 P36897 6/20 0.41
TGFBR2 P37173 3/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
ABL1 P00519 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
POLB P06746 1/20 0.36
CDK9 P50750 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL12426284 0.92 IGF1R (0.41) ABCG2TGFBR1TGFBR2ADORA3ADORA2A
SCHEMBL12425326 0.90 ADORA2A (0.51) ABCG2TGFBR1TGFBR2ADORA3ADORA2A
SCHEMBL12424696 0.88 CDK9 (0.39) TGFBR1ADORA3ADORA2AHTTLMNA
SCHEMBL12424691 0.87 CDK9 (0.40) ABCG2TGFBR1ADORA3ADORA2AHTT
SCHEMBL12424830 0.85 ABL1 (0.46) ABL1CDK9
SCHEMBL12424688 0.84 TGFBR1 (0.40) ABCG2TGFBR1HTTLMNAMEN1
SCHEMBL12424697 0.84 POLB (0.46) TGFBR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL12424774 0.83 IGF1R (0.40) TGFBR1KDM4EMEN1KMT2AEGFR
SCHEMBL12424685 0.83 TGFBR1 (0.39) ABCG2TGFBR1HTTLMNAMEN1
SCHEMBL12426290 0.83 TGFBR1 (0.39) ABCG2TGFBR1HTTLMNAMEN1

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 ABCG2 175/4885TGFBR1 3742/4885TGFBR2 4037/4885

“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.