SCHEMBL12424826

SCHEMBL12424826

Fc1ccc(Cl)cc1-c1cc(-n2ncc3cnccc32)c2cccnc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 9/20 0.43
▸ CYP1A2 P05177 5/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ IDO1 P14902 2/20 0.39
▸ HTR2B P41595 2/20 0.37
▸ ACVR1B P36896 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ MAP3K2 Q9Y2U5 1/20 0.37
▸ CYP11B2 P19099 2/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ PIM1 P11309 2/20 0.36
▸ PIM3 Q86V86 2/20 0.36
▸ PIM2 Q9P1W9 2/20 0.36
▸ PRKD3 O94806 1/20 0.35
▸ PRKD1 Q15139 1/20 0.35
▸ PRKD2 Q9BZL6 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ACP1 P24666 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.32

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 0.84 TGFBR1 (0.44) TGFBR1CYP1A2CYP3A4IDO1HTR2B
SCHEMBL12426285 0.83 TGFBR1 (0.44) TGFBR1CYP1A2CYP3A4IDO1HTR2B
SCHEMBL12425353 0.80 TGFBR1 (0.42) TGFBR1CYP1A2CYP3A4IDO1HTR2B
SCHEMBL12424693 0.80 TGFBR1 (0.42) TGFBR1CYP1A2CYP3A4IDO1HTR2B
SCHEMBL12425345 0.79 TGFBR1 (0.42) TGFBR1CYP1A2CYP3A4IDO1HTR2B
SCHEMBL2295723 0.79 TGFBR1 (0.70) TGFBR1CYP1A2CYP3A4IDO1HTR2B
SCHEMBL12440185 0.77 TGFBR1 (0.41) TGFBR1CYP1A2CYP3A4IDO1ACVR1B
SCHEMBL14227419 0.76 CYP1A2 (0.41) TGFBR1CYP1A2CYP3A4IDO1HTR2B
SCHEMBL16181704 0.76 TGFBR1 (0.41) TGFBR1CYP1A2CYP3A4IDO1HTR2B
SCHEMBL244421 0.76 KDR (0.47) TGFBR1CYP1A2CYP3A4IDO1PIM1

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 3742/4885CYP1A2 1450/4885CYP3A4 828/4885

“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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