SCHEMBL2300145

SCHEMBL2300145

c1cnc2nc(-c3cnccn3)cc(Nc3ccncc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.44
ADRA2A P08913 2/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1A P35348 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
CYP3A4 P08684 8/20 0.40
CYP2C8 P10632 3/20 0.40
ACP1 P24666 1/20 0.40
CYP1A2 P05177 3/20 0.38
ABCG2 Q9UNQ0 4/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL2298901 0.87 TGFBR1 (0.52) TGFBR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL2298659 0.80 TGFBR1 (0.70) TGFBR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL2295488 0.79 TGFBR1 (0.45) TGFBR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL2298031 0.79 ACP1 (0.50) TGFBR1TRPV1CYP3A4CYP2C8ACP1
SCHEMBL12424764 0.78 ALK (0.46) TGFBR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL2302349 0.78 TGFBR1 (0.52) TGFBR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL2302228 0.78 TGFBR1 (0.64) TGFBR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL12425137 0.77 TGFBR1 (0.49) TGFBR1ADRA2ACYP3A4CYP2C8ACP1
SCHEMBL12425319 0.76 MAPT (0.47) TGFBR1TRPV1ACP1
SCHEMBL12424680 0.76 TGFBR1 (0.52) TGFBR1TRPV1CYP3A4CYP2C8ACP1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539336-B1 HETARYLAMINONAPHTHYRIDINES MERCK PATENT GMBH (DE) 2014-10-22 EP disclosed
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-8815893-B2 Hetarylaminonaphthyridines MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
EP-2539336-A2 HETARYLAMINONAPHTHYRIDINES Merck Patent GmbH (DE) 2013-01-02 EP 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
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
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 TGFBR1 3742/4885ADRA2A 999/4885ADRA2B 1857/4885

“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.