SCHEMBL12090684

SCHEMBL12090684

CN1CCC(C(=O)Nc2cnccc2Nc2cc(-c3cc(Cl)ccc3F)nc3ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 15/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HTT P42858 1/20 0.45
▸ ACVR1B P36896 9/20 0.43
▸ ACVRL1 P37023 7/20 0.43
▸ ACP1 P24666 3/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ BMPR1A P36894 1/20 0.40
▸ ACVR1 Q04771 1/20 0.40

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
SCHEMBL12090374 0.87 TGFBR1 (0.45) TGFBR1CYP3A4ACVR1BACVRL1ACP1
SCHEMBL12090419 0.85 TGFBR1 (0.65) TGFBR1CYP3A4ACVR1BACVRL1BMPR1A
SCHEMBL12090687 0.82 TGFBR1 (0.47) TGFBR1CYP3A4ACVR1BACVRL1ACP1
SCHEMBL12090543 0.82 TGFBR1 (0.47) TGFBR1CYP3A4ACVR1BACVRL1ACP1
SCHEMBL12090730 0.82 TGFBR1 (0.59) TGFBR1CYP3A4HTTACVR1BACVRL1
SCHEMBL12090595 0.81 TGFBR1 (0.47) TGFBR1CYP3A4ACVR1BACVRL1ACP1
SCHEMBL12090701 0.80 TGFBR1 (0.46) TGFBR1CYP3A4ACVR1BACVRL1ACP1
SCHEMBL12090773 0.80 ACP1 (0.49) TGFBR1CYP3A4ACVR1BACVRL1ACP1
SCHEMBL12090615 0.78 ACP1 (0.47) TGFBR1CYP3A4ACVR1BACVRL1ACP1
SCHEMBL12090624 0.78 TGFBR1 (0.48) TGFBR1CYP3A4ACVR1BACVRL1ACP1

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 TGFBR1 1/4885CYP3A4 2031/4885HTT 2868/4885

“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