SCHEMBL12090608

SCHEMBL12090608

Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3cccnc23)c2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 8/20 0.48
TGFBR1 P36897 10/20 0.47
CYP3A4 P08684 2/20 0.44
CYP2C8 P10632 1/20 0.44
FADS1 O60427 1/20 0.43
AURKA O14965 1/20 0.41
EGFR P00533 1/20 0.41
INSR P06213 1/20 0.41
IGF1R P08069 1/20 0.41
SRC P12931 1/20 0.41
KDR P35968 1/20 0.41
EPHB4 P54760 1/20 0.41
TEK Q02763 1/20 0.41
AURKB Q96GD4 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
SCHEMBL12090569 0.90 TGFBR1 (0.57) ACP1TGFBR1CYP3A4CYP2C8FADS1
SCHEMBL12090794 0.83 GAA (0.54) ACP1TGFBR1CYP3A4CYP2C8FADS1
SCHEMBL1819087 0.83 ACP1 (0.56) ACP1TGFBR1
SCHEMBL12090386 0.82 TGFBR1 (0.47) ACP1TGFBR1CYP3A4CYP2C8FADS1
SCHEMBL12090612 0.81 TGFBR1 (0.61) ACP1TGFBR1CYP3A4CYP2C8FADS1
SCHEMBL12090427 0.81 ACP1 (0.55) ACP1TGFBR1
SCHEMBL12090560 0.81 ACP1 (0.53) ACP1TGFBR1
SCHEMBL12090362 0.81 ACP1 (0.55) ACP1TGFBR1CYP2C8FADS1
SCHEMBL12090763 0.79 ACP1 (0.52) ACP1TGFBR1EGFRIGF1RSRC
SCHEMBL1819336 0.79 TGFBR1 (0.67) ACP1TGFBR1CYP3A4CYP2C8

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 1/4885CYP3A4 2031/4885

“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.