SCHEMBL12424687

SCHEMBL12424687

COC(=O)c1nccc2c1ccn2-c1cc(-c2cc(Cl)ccc2F)nc2ncccc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 7/20 0.37
▸ CYP1A2 P05177 4/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ IGF1R P08069 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ ROCK1 Q13464 1/20 0.35
▸ TRPA1 O75762 1/20 0.34
▸ ACVR1B P36896 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ MAP3K2 Q9Y2U5 1/20 0.33
▸ SUCNR1 Q9BXA5 1/20 0.33
▸ ACVRL1 P37023 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33

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 0.77 TGFBR1 (0.44) TGFBR1CYP1A2CYP3A4IDO1ACVR1B
SCHEMBL14227419 0.73 CYP1A2 (0.41) TGFBR1CYP1A2CYP3A4IDO1ACVR1B
SCHEMBL16181704 0.73 TGFBR1 (0.41) TGFBR1CYP1A2CYP3A4IDO1ACVR1B
SCHEMBL12425353 0.73 TGFBR1 (0.42) TGFBR1CYP1A2CYP3A4IDO1ACVR1B
SCHEMBL12424693 0.73 TGFBR1 (0.42) TGFBR1CYP1A2CYP3A4IDO1ACVR1B
SCHEMBL12425345 0.73 TGFBR1 (0.42) TGFBR1CYP1A2CYP3A4IDO1ACVR1B
SCHEMBL12424760 0.72 TGFBR1 (0.44) TGFBR1CYP3A4IGF1RACVR1BACVRL1
SCHEMBL12424834 0.71 IDO1 (0.39) TGFBR1CYP1A2CYP3A4IDO1
SCHEMBL245869 0.70 IDO1 (0.45) TGFBR1CYP3A4IGF1RIDO1SUCNR1
SCHEMBL2294813 0.70 TGFBR1 (0.66) TGFBR1CYP3A4ACVR1BACVRL1

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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