SCHEMBL12090622

SCHEMBL12090622

O=c1[nH]c2cnccc2n(-c2cc(-c3cc(Cl)ccc3F)nc3ccccc23)c1=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 8/20 0.60
▸ CYP1A2 P05177 6/20 0.60
▸ CYP3A4 P08684 4/20 0.60
▸ APAF1 O14727 1/20 0.40
▸ HTR2B P41595 2/20 0.39
▸ ACVR1B P36896 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ MAP3K2 Q9Y2U5 1/20 0.39
▸ IDO1 P14902 2/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ IDO2 Q6ZQW0 1/20 0.38
▸ ACP1 P24666 1/20 0.38
▸ AOC3 Q16853 2/20 0.37
▸ GUSB P08236 1/20 0.37
▸ PARP1 P09874 1/20 0.35

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
SCHEMBL12090422 0.91 TGFBR1 (0.72) TGFBR1CYP1A2CYP3A4APAF1HTR2B
SCHEMBL1819639 0.81 TGFBR1 (0.59) TGFBR1CYP1A2CYP3A4
SCHEMBL12090682 0.79 CYP1A2 (0.48) TGFBR1CYP1A2CYP3A4APAF1HTR2B
SCHEMBL2295723 0.78 TGFBR1 (0.70) TGFBR1CYP1A2CYP3A4HTR2BACVR1B
SCHEMBL12090664 0.77 TGFBR1 (0.45) TGFBR1CYP1A2CYP3A4HTR2BACVR1B
SCHEMBL12090765 0.76 CYP1A2 (0.52) TGFBR1CYP1A2CYP3A4APAF1HTR2B
SCHEMBL12090555 0.76 FGFR1 (0.45) TGFBR1CYP1A2CYP3A4HTR2BACVR1B
SCHEMBL1820552 0.75 CYP1A2 (0.44) TGFBR1CYP1A2CYP3A4HTR2BACVR1B
SCHEMBL12090550 0.73 TGFBR1 (0.52) TGFBR1CYP1A2CYP3A4APAF1IDO1
SCHEMBL12090609 0.73 TGFBR1 (0.41) TGFBR1CYP1A2CYP3A4APAF1HTR2B

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.

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