SCHEMBL1819085

SCHEMBL1819085

Nc1ccnc(-c2cc(-c3cc(Cl)ccc3F)nc3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.44
TGFBR1 P36897 7/20 0.43
ASIC3 Q9UHC3 1/20 0.42
ACP1 P24666 3/20 0.39
ELANE P08246 1/20 0.39
KMO O15229 1/20 0.38
ACHE P22303 1/20 0.38
ADORA2A P29274 1/20 0.37
MAPK1 P28482 1/20 0.37
SCN9A Q15858 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
SCHEMBL31032681 0.84 TGFBR1 (0.45) TGFBR1ASIC3KMOSCN9A
SCHEMBL2596864 0.84 TGFBR1 (0.45) TGFBR1ASIC3KMOSCN9A
SCHEMBL12090613 0.82 ACP1 (0.48) GRM2TGFBR1ACP1SCN9A
SCHEMBL1818697 0.81 GRM2 (0.42) GRM2TGFBR1ACP1KMOACHE
Urea SCHEMBL1817197 0.77 GRM2 (0.48) GRM2TGFBR1KMOACHEMAPK1
SCHEMBL12090592 0.75 ACP1 (0.53) TGFBR1ACP1SCN9A
SCHEMBL2328148 0.75 GRM2 (0.45) GRM2TGFBR1ACP1ELANEMAPK1
SCHEMBL12657827 0.75 GRM2 (0.44) GRM2TGFBR1ACP1ELANEMAPK1
SCHEMBL1817198 0.75 GRM2 (0.44) GRM2ACP1ELANEMAPK1
SCHEMBL12090569 0.75 TGFBR1 (0.57) TGFBR1ACP1

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
EP-2496234-A1 HETEROARYLAMINOQUINOLINES AS TGF-BETA RECEPTOR KINASE INHIBITORS Merck Patent GmbH (DE) 2012-09-12 EP 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 GRM2 2058/4885TGFBR1 1/4885ASIC3 4378/4885

“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.