SCHEMBL12424756

SCHEMBL12424756

Cc1ccn(-c2cc(Nc3ccncc3)c3cccnc3n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM4 Q14833 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
PDE10A Q9Y233 2/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1A P35348 1/20 0.36
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
ACP1 P24666 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL3405607 0.77 L3MBTL1 (0.46) L3MBTL1NPC1MAPTRAB9AATM
SCHEMBL10193135 0.76 MAPT (0.45) L3MBTL1NPC1MAPTRAB9AATM
SCHEMBL2295488 0.74 TGFBR1 (0.45) TGFBR1L3MBTL1CYP3A4CYP2C8ADRA2A
SCHEMBL2298659 0.73 TGFBR1 (0.70) TGFBR1CYP3A4CYP2C8ADRA2AADRA2B
SCHEMBL3382263 0.72 IKBKE (0.50) TGFBR1IGF1RIDO1
SCHEMBL2328238 0.70 NPC1 (0.37) L3MBTL1NPC1MAPTRAB9AATM
SCHEMBL2300145 0.70 TGFBR1 (0.44) TGFBR1L3MBTL1CYP3A4CYP2C8ADRA2A
SCHEMBL2298901 0.69 TGFBR1 (0.52) TGFBR1L3MBTL1MAPTSMN1; SMN2CYP3A4
SCHEMBL14227388 0.69 TGFBR1 (0.44) TGFBR1L3MBTL1MAPTSMN1; SMN2CYP3A4
SCHEMBL2294741 0.69 GRM4 (0.43) TGFBR1L3MBTL1GRM4CYP3A4CYP2C8

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 TGFBR1 3742/4885L3MBTL1 980/4885NPC1 843/4885

“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.