SCHEMBL12425328

SCHEMBL12425328

CN(C)CCOc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.44
TGFBR1 P36897 18/20 0.42
ACVR1B P36896 12/20 0.42
ACVRL1 P37023 11/20 0.42
IDO1 P14902 1/20 0.41
BMPR1A P36894 1/20 0.39
ACVR1 Q04771 1/20 0.39

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
SCHEMBL12425352 0.96 IDO1 (0.43) NR4A2TGFBR1ACVR1BACVRL1IDO1
SCHEMBL12424676 0.90 TGFBR1 (0.46) TGFBR1ACVR1BACVRL1BMPR1AACVR1
SCHEMBL12424816 0.89 TGFBR1 (0.44) TGFBR1ACVR1BACVRL1BMPR1AACVR1
SCHEMBL12424766 0.87 TGFBR1 (0.41) TGFBR1ACVR1BACVRL1BMPR1AACVR1
SCHEMBL12424765 0.85 TGFBR1 (0.45) TGFBR1ACVR1BACVRL1BMPR1AACVR1
SCHEMBL3383010 0.84 IDO1 (0.42) NR4A2TGFBR1ACVR1BACVRL1IDO1
SCHEMBL2298025 0.82 EGFR (0.42) TGFBR1
SCHEMBL12424824 0.82 TGFBR1 (0.58) TGFBR1ACVR1BACVRL1BMPR1AACVR1
SCHEMBL12425335 0.82 TGFBR1 (0.46) TGFBR1
SCHEMBL12424777 0.81 EGFR (0.43) TGFBR1ACVR1BACVRL1BMPR1AACVR1

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 NR4A2 2543/4885TGFBR1 3742/4885ACVR1B 4144/4885

“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.