SCHEMBL12090664

SCHEMBL12090664

Fc1ccc(Cl)cc1-c1cc(-n2ccc3cnccc32)c2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 12/20 0.45
▸ CYP1A2 P05177 5/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ ACP1 P24666 2/20 0.41
▸ KDR P35968 1/20 0.38
▸ LATS1 O95835 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ CYP19A1 P11511 2/20 0.37
▸ ACVR1B P36896 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ MAP3K2 Q9Y2U5 1/20 0.36
▸ TGFBR2 P37173 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36

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
SCHEMBL12424675 0.86 TGFBR1 (0.44) TGFBR1CYP1A2CYP3A4ACVR1BHTR2B
SCHEMBL12090555 0.84 FGFR1 (0.45) TGFBR1CYP1A2CYP3A4ACP1LATS1
SCHEMBL12090682 0.80 CYP1A2 (0.48) TGFBR1CYP1A2CYP3A4ACP1LATS1
SCHEMBL12090422 0.78 TGFBR1 (0.72) TGFBR1CYP1A2CYP3A4ACP1ACVR1B
SCHEMBL12090622 0.77 TGFBR1 (0.60) TGFBR1CYP1A2CYP3A4ACP1ACVR1B
SCHEMBL12424837 0.76 TGFBR1 (0.40) TGFBR1CYP1A2CYP3A4TGFBR2
SCHEMBL1820552 0.75 CYP1A2 (0.44) TGFBR1CYP1A2CYP3A4ACP1LATS1
SCHEMBL5803322 0.74 KDM4E (0.48) CYP1A2ACP1MAPK1CYP19A1
SCHEMBL12090609 0.73 TGFBR1 (0.41) TGFBR1CYP1A2CYP3A4ACP1LATS1
SCHEMBL15976496 0.73 TGFBR1 (0.35) TGFBR1CYP1A2CYP3A4TGFBR2

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 1/4885CYP1A2 1818/4885CYP3A4 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.

Send feedback