SCHEMBL2298031

SCHEMBL2298031

Fc1ccc(-c2cc(Nc3ccncc3)c3cccnc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 4/20 0.50
TGFBR1 P36897 4/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C8 P10632 2/20 0.48
ABCG2 Q9UNQ0 6/20 0.44
TRPV1 Q8NER1 1/20 0.44
MAPK14 Q16539 2/20 0.44
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SYK P43405 1/20 0.41

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
SCHEMBL12424680 0.84 TGFBR1 (0.52) ACP1TGFBR1CYP1A2CYP3A4CYP2C8
SCHEMBL2302228 0.81 TGFBR1 (0.64) ACP1TGFBR1CYP1A2CYP3A4CYP2C8
SCHEMBL2302349 0.81 TGFBR1 (0.52) ACP1TGFBR1CYP1A2CYP3A4CYP2C8
SCHEMBL2300555 0.81 ABCG2 (0.52) ACP1TGFBR1CYP1A2CYP3A4CYP2C8
SCHEMBL2298901 0.81 TGFBR1 (0.52) ACP1TGFBR1CYP1A2CYP3A4CYP2C8
SCHEMBL12425137 0.81 TGFBR1 (0.49) ACP1TGFBR1CYP1A2CYP3A4CYP2C8
SCHEMBL15976494 0.80 TGFBR1 (0.42) ACP1TGFBR1CYP1A2CYP3A4CYP2C8
SCHEMBL12424764 0.80 ALK (0.46) ACP1TGFBR1CYP1A2CYP3A4CYP2C8
SCHEMBL12424817 0.79 TGFBR1 (0.64) ACP1TGFBR1CYP1A2CYP3A4CYP2C8
SCHEMBL2300145 0.79 TGFBR1 (0.44) ACP1TGFBR1CYP1A2CYP3A4CYP2C8

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
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
CN-103097381-A 1, 8-naphthyridines as kinase inhibitors MERCK PATENT GMBH 2013-05-08 CN 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 ACP1 3553/4885TGFBR1 3742/4885CYP1A2 1450/4885

“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.