SCHEMBL12090551

SCHEMBL12090551

N#Cc1cccc(-c2cc(Nc3ccncc3)c3ccccc3n2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 8/20 0.70
ABCB1 P08183 4/20 0.70
CYP1A2 P05177 3/20 0.65
CYP3A4 P08684 2/20 0.65
USP2 O75604 1/20 0.65
CYP2C9 P11712 1/20 0.65
HPGD P15428 1/20 0.65
CASP1 P29466 1/20 0.65
ACP1 P24666 7/20 0.61
TGFBR1 P36897 1/20 0.58
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ABCC1 P33527 2/20 0.49

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
SCHEMBL12090776 0.85 ACP1 (0.76) ABCG2ABCB1ACP1TGFBR1ALDH1A1
SCHEMBL12090581 0.82 ACP1 (0.67) ABCG2ABCB1ACP1TGFBR1ABCC1
SCHEMBL12090610 0.80 ACP1 (0.60) ABCG2ABCB1ACP1TGFBR1ABCC1
SCHEMBL12090368 0.79 ACP1 (0.79) ABCG2ABCB1CYP1A2CYP3A4HPGD
SCHEMBL12090557 0.79 ACP1 (0.69) ABCG2ABCB1CYP1A2CYP3A4USP2
SCHEMBL12090651 0.77 ACP1 (0.65) ABCG2ABCB1CYP1A2CYP2C9ACP1
SCHEMBL17688768 0.76 ACP1 (1.00) ABCG2ABCB1ACP1
SCHEMBL12090376 0.74 ACP1 (0.64) ABCG2ABCB1ACP1TGFBR1MEN1
SCHEMBL12090769 0.74 ACP1 (1.00) ABCG2ABCB1ACP1
SCHEMBL12090552 0.74 TGFBR1 (0.70) ABCG2ABCB1CYP3A4CYP2C9ACP1

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 4 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

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 ABCG2 805/4885ABCB1 30/4885CYP1A2 1818/4885

“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.