SCHEMBL12426538

SCHEMBL12426538

Cc1cccc(-c2cc(-n3nc(C)c4cnccc43)c3cccnc3n2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.39
▸ CYP2A6 P11509 1/20 0.37
▸ TGFBR1 P36897 11/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ CCR1 P32246 1/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ TGFBR2 P37173 3/20 0.32
▸ PLK1 P53350 2/20 0.32
▸ SLC34A1 Q06495 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31

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
SCHEMBL12425341 0.80 IDO1 (0.40) ELANETGFBR1IDO1CYP3A4PLK1
SCHEMBL12425354 0.80 TGFBR1 (0.49) CYP2A6TGFBR1IDO1TGFBR2
SCHEMBL12426285 0.79 TGFBR1 (0.44) ELANETGFBR1IDO1CYP3A4
SCHEMBL14241409 0.71 CCR1 (0.50) CYP2A6TGFBR1CCR1CCR8CYP3A4
SCHEMBL12426288 0.71 MKNK2 (0.39) CYP2A6TGFBR1IDO1CCR1CCR8
SCHEMBL3393742 0.70 CYP2A6 (0.40) CYP2A6TGFBR1IDO1CCR1CCR8
SCHEMBL12424822 0.69 SLC34A1 (0.32) ELANEPLK1SLC34A1
SCHEMBL246878 0.69 ADORA1 (0.48) CYP2A6TGFBR1CCR1CCR8CYP3A4
SCHEMBL12424714 0.69 ADORA2A (0.48) CYP2A6TGFBR1CCR1CCR8CYP3A4
SCHEMBL12424718 0.69 CCR1 (0.47) CYP2A6TGFBR1IDO1CCR1CCR8

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 ELANE 3340/4885CYP2A6 1196/4885TGFBR1 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.

Send feedback