SCHEMBL12090674

SCHEMBL12090674

Fc1ccc(F)c(-c2cc(Nc3ccncc3)c3ccccc3n2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.61
ACP1 P24666 7/20 0.59
CYP1A2 P05177 6/20 0.55
CYP3A4 P08684 5/20 0.55
ABCG2 Q9UNQ0 2/20 0.54
CYP2C8 P10632 3/20 0.54
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP2D6 P10635 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
CYP2C19 P33261 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL1819336 0.89 TGFBR1 (0.67) TGFBR1ACP1CYP1A2CYP3A4ABCG2
SCHEMBL12090425 0.89 TGFBR1 (0.68) TGFBR1ACP1CYP1A2CYP3A4ABCG2
SCHEMBL12090558 0.88 TGFBR1 (0.55) TGFBR1ACP1CYP1A2CYP3A4ABCG2
SCHEMBL12657314 0.88 TGFBR1 (0.55) TGFBR1ACP1CYP1A2CYP3A4ABCG2
SCHEMBL12090554 0.88 ACP1 (0.57) TGFBR1ACP1CYP1A2CYP3A4ABCG2
SCHEMBL12090455 0.87 ACP1 (0.56) TGFBR1ACP1CYP1A2CYP3A4ABCG2
SCHEMBL12424680 0.83 TGFBR1 (0.52) TGFBR1ACP1CYP1A2CYP3A4ABCG2
SCHEMBL12090786 0.79 ACP1 (0.78) TGFBR1ACP1CYP1A2CYP3A4ABCG2
SCHEMBL12090776 0.79 ACP1 (0.76) TGFBR1ACP1ABCG2ALDH1A1KDM4E
SCHEMBL12090370 0.79 TGFBR1 (0.60) TGFBR1ACP1CYP1A2CYP3A4ABCG2

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 TGFBR1 1/4885ACP1 4047/4885CYP1A2 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.