SCHEMBL12424837

SCHEMBL12424837

Fc1ccc(F)c(-c2cc(-n3ccc4cnccc43)c3cccnc3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 10/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ MAPT P10636 8/20 0.37
▸ TGFBR2 P37173 2/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ CDK2 P24941 1/20 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
SCHEMBL12424675 0.91 TGFBR1 (0.44) TGFBR1IDO1MAPTTGFBR2CYP1A2
SCHEMBL12424762 0.88 TGFBR1 (0.35) TGFBR1MAPTTGFBR2CYP1A2CYP3A4
SCHEMBL15976496 0.88 TGFBR1 (0.35) TGFBR1IDO1MAPTTGFBR2CYP1A2
SCHEMBL12425341 0.79 IDO1 (0.40) TGFBR1IDO1CYP1A2CYP3A4
SCHEMBL12425354 0.77 TGFBR1 (0.49) TGFBR1IDO1MAPTTGFBR2CDC7
SCHEMBL12424693 0.77 TGFBR1 (0.42) TGFBR1IDO1CYP1A2CYP3A4CDC7
SCHEMBL12425353 0.77 TGFBR1 (0.42) TGFBR1IDO1CYP1A2CYP3A4CDC7
SCHEMBL12090664 0.76 TGFBR1 (0.45) TGFBR1TGFBR2CYP1A2CYP3A4
SCHEMBL12424834 0.76 IDO1 (0.39) TGFBR1IDO1CYP1A2CYP3A4
SCHEMBL12524275 0.76 HSP90AA1 (0.39) TGFBR1MAPTTGFBR2CDC7CDK2

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 3742/4885IDO1 2695/4885MAPT 4809/4885

“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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