SCHEMBL12424764

SCHEMBL12424764

c1cnc2nc(-c3cn[nH]c3)cc(Nc3ccncc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.46
ACP1 P24666 1/20 0.45
TGFBR1 P36897 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C8 P10632 2/20 0.41
TRPV1 Q8NER1 1/20 0.40
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1A P35348 1/20 0.39
MAPK1 P28482 2/20 0.39
PIM1 P11309 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRM4 Q14833 1/20 0.39
MAPT P10636 2/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL2298031 0.80 ACP1 (0.50) ACP1TGFBR1CYP3A4CYP1A2CYP2C8
SCHEMBL2300145 0.78 TGFBR1 (0.44) ACP1TGFBR1CYP3A4CYP1A2CYP2C8
SCHEMBL2298901 0.78 TGFBR1 (0.52) ALKACP1TGFBR1CYP3A4CYP1A2
SCHEMBL12425137 0.78 TGFBR1 (0.49) ACP1TGFBR1CYP3A4CYP1A2CYP2C8
SCHEMBL12425319 0.77 MAPT (0.47) ALKACP1TGFBR1TRPV1IKBKE
SCHEMBL2300555 0.76 ABCG2 (0.52) ACP1TGFBR1CYP3A4CYP1A2CYP2C8
SCHEMBL15976494 0.75 TGFBR1 (0.42) ACP1TGFBR1CYP3A4CYP1A2CYP2C8
SCHEMBL2302349 0.74 TGFBR1 (0.52) ACP1TGFBR1CYP3A4CYP1A2CYP2C8
SCHEMBL2298659 0.74 TGFBR1 (0.70) ACP1TGFBR1CYP3A4CYP2C8TRPV1
SCHEMBL2302228 0.74 TGFBR1 (0.64) ACP1TGFBR1CYP3A4CYP1A2CYP2C8

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 ALK 2312/4885ACP1 3553/4885TGFBR1 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.