SCHEMBL1819087

SCHEMBL1819087

Fc1ccc(Cl)cc1-c1cc(Nc2ccccn2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 13/20 0.56
TGFBR1 P36897 2/20 0.47
ALDH1A1 P00352 1/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
MAT2A P31153 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK10 P53779 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL12090596 0.89 ACP1 (0.57) ACP1TGFBR1GSK3AGSK3B
SCHEMBL12090763 0.88 ACP1 (0.52) ACP1TGFBR1GSK3AGSK3BABCG2
SCHEMBL12090613 0.88 ACP1 (0.48) ACP1TGFBR1GSK3AGSK3BABCG2
SCHEMBL12090569 0.86 TGFBR1 (0.57) ACP1TGFBR1
SCHEMBL12090364 0.84 ACP1 (0.48) ACP1TGFBR1GSK3AGSK3BABCG2
SCHEMBL1819336 0.83 TGFBR1 (0.67) ACP1TGFBR1ABCG2
SCHEMBL12090608 0.83 ACP1 (0.48) ACP1TGFBR1
SCHEMBL12090560 0.83 ACP1 (0.53) ACP1TGFBR1ABCG2
SCHEMBL12090362 0.83 ACP1 (0.55) ACP1TGFBR1ABCG2
SCHEMBL12090620 0.81 EGFR (0.57) ACP1ABCG2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987301-B2 Heteroarylaminoquinolines as TGF-beta receptor kinase inhibitors MERCK PATENT GMBH (DE) 2015-03-24 US disclosed
US-8987301-B2 Heteroarylaminoquinolines as TGF-beta receptor kinase inhibitors MERCK PATENT GMBH (DE) 2015-03-24 US disclosed
US-8987301-B2 Heteroarylaminoquinolines as TGF-beta receptor kinase inhibitors MERCK PATENT GMBH (DE) 2015-03-24 US disclosed
EP-2496234-A1 HETEROARYLAMINOQUINOLINES AS TGF-BETA RECEPTOR KINASE INHIBITORS Merck Patent GmbH (DE) 2012-09-12 EP disclosed
US-20120225875-A1 HETEROARYLAMINOQUINOLINES AS TGF-BETA RECEPTOR KINASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-06 US disclosed
US-20120225875-A1 HETEROARYLAMINOQUINOLINES AS TGF-BETA RECEPTOR KINASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-06 US disclosed
US-20120225875-A1 HETEROARYLAMINOQUINOLINES AS TGF-BETA RECEPTOR KINASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-06 US disclosed
WO-2011054433-A1 HETEROARYLAMINOQUINOLINES AS TGF-BETA RECEPTOR KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-05-12 WO disclosed
WO-2011054433-A1 HETEROARYLAMINOQUINOLINES AS TGF-BETA RECEPTOR KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-05-12 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-20120225875-A1 HETEROARYLAMINOQUINOLINES AS TGF-BETA RECEPTOR KINASE INHIBITORS TGFBR1, TGFBR2, TGFB1 ACP1 4047/4885TGFBR1 1/4885ALDH1A1 3645/4885

“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.