SCHEMBL12425341

SCHEMBL12425341

Cc1nn(-c2cc(-c3cc(F)ccc3F)nc3ncccc23)c2ccncc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.40
▸ SLC34A1 Q06495 2/20 0.36
▸ CYP1A2 P05177 7/20 0.35
▸ TGFBR1 P36897 6/20 0.35
▸ CYP3A4 P08684 4/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ ELANE P08246 1/20 0.34
▸ CYP17A1 P05093 2/20 0.33
▸ PLK1 P53350 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ PDE10A Q9Y233 3/20 0.31
▸ PDE2A O00408 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
SCHEMBL12426285 0.91 TGFBR1 (0.44) IDO1CYP1A2TGFBR1CYP3A4ELANE
SCHEMBL12426538 0.80 ELANE (0.39) IDO1SLC34A1TGFBR1CYP3A4ELANE
SCHEMBL12424837 0.79 TGFBR1 (0.40) IDO1CYP1A2TGFBR1CYP3A4
SCHEMBL12424826 0.74 TGFBR1 (0.43) IDO1CYP1A2TGFBR1CYP3A4PIM1
SCHEMBL13834388 0.72 ABCG2 (0.48) IDO1CYP1A2CYP3A4PIM1CYP17A1
SCHEMBL246930 0.72 TBK1 (0.47) IDO1TGFBR1PIM1PIM2ABCG2
SCHEMBL3385278 0.72 ABCG2 (0.39) IDO1TGFBR1PIM1PIM2ABCG2
SCHEMBL3383244 0.71 PIM1 (0.40) IDO1TGFBR1PIM1PIM2ABCG2
SCHEMBL19791772 0.71 ABCG2 (0.41) IDO1TGFBR1PIM1PIM2ABCG2
SCHEMBL12424675 0.71 TGFBR1 (0.44) IDO1CYP1A2TGFBR1CYP3A4

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 IDO1 2695/4885SLC34A1 1036/4885CYP1A2 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.

Send feedback