SCHEMBL12090776

SCHEMBL12090776

c1ccc(-c2cc(Nc3ccncc3)c3ccccc3n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 10/20 0.76
TGFBR1 P36897 2/20 0.67
ABCG2 Q9UNQ0 5/20 0.67
ABCB1 P08183 4/20 0.67
ABCC1 P33527 2/20 0.60
MAPK14 Q16539 1/20 0.55
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
RAD52 P43351 1/20 0.54
SLC2A1 P11166 1/20 0.54

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
SCHEMBL12090581 0.88 ACP1 (0.67) ACP1TGFBR1ABCG2ABCB1ABCC1
SCHEMBL12090769 0.87 ACP1 (1.00) ACP1ABCG2ABCB1
SCHEMBL12090610 0.86 ACP1 (0.60) ACP1TGFBR1ABCG2ABCB1ABCC1
SCHEMBL12090651 0.85 ACP1 (0.65) ACP1TGFBR1ABCG2ABCB1
SCHEMBL12090557 0.85 ACP1 (0.69) ACP1TGFBR1ABCG2ABCB1ABCC1
SCHEMBL12090551 0.85 ABCG2 (0.70) ACP1TGFBR1ABCG2ABCB1ABCC1
SCHEMBL12090368 0.85 ACP1 (0.79) ACP1TGFBR1ABCG2ABCB1KDM4E
SCHEMBL12090376 0.84 ACP1 (0.64) ACP1TGFBR1ABCG2ABCB1ABCC1
SCHEMBL12090552 0.84 TGFBR1 (0.70) ACP1TGFBR1ABCG2ABCB1KDM4E
SCHEMBL22201279 0.83 ABCG2 (0.85) ACP1TGFBR1ABCG2ABCB1ABCC1

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 5 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-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

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 1/4885ABCG2 805/4885

“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.