SCHEMBL12425354

SCHEMBL12425354

Cc1cccc(-c2cc(-n3ccc4cnccc43)c3cccnc3n2)n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 14/20 0.49
▸ TGFBR2 P37173 2/20 0.39
▸ CYP2A6 P11509 1/20 0.38
▸ CDC7 O00311 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ MAPT P10636 3/20 0.35

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
SCHEMBL12426288 0.84 MKNK2 (0.39) TGFBR1CYP2A6IDO1
SCHEMBL12426538 0.80 ELANE (0.39) TGFBR1TGFBR2CYP2A6IDO1
SCHEMBL12424837 0.77 TGFBR1 (0.40) TGFBR1TGFBR2CDC7CDK2IDO1
SCHEMBL12424675 0.76 TGFBR1 (0.44) TGFBR1TGFBR2CDC7CDK2IDO1
SCHEMBL12424762 0.74 TGFBR1 (0.35) TGFBR1TGFBR2CDC7CDK2MAPT
SCHEMBL15976496 0.74 TGFBR1 (0.35) TGFBR1TGFBR2CDC7CDK2IDO1
SCHEMBL3393742 0.73 CYP2A6 (0.40) TGFBR1TGFBR2CYP2A6IDO1
SCHEMBL246878 0.72 ADORA1 (0.48) TGFBR1TGFBR2CYP2A6MAPT
SCHEMBL14241409 0.72 CCR1 (0.50) TGFBR1TGFBR2CYP2A6
SCHEMBL246499 0.71 TGFBR1 (0.43) TGFBR1CYP2A6

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 3742/4885TGFBR2 4037/4885CYP2A6 1196/4885

“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.

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