SCHEMBL6920937

SCHEMBL6920937

O=c1c2ccc(-c3ccccn3)cc2nc2n1C1CCC2C1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.51
MAPK14 Q16539 6/20 0.45
KDR P35968 6/20 0.41
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6922215 0.93 TGFBR1 (0.43) TGFBR1MAPK14CYP3A4
SCHEMBL14238842 0.79 TGFBR1 (0.38) TGFBR1MAPK14CYP3A4
SCHEMBL6923234 0.78 POLB (0.44) TGFBR1
SCHEMBL6922828 0.78 CYP2C9 (0.38) TGFBR1CYP3A4
SCHEMBL12059210 0.77 ACHE (0.43) TGFBR1CYP3A4
SCHEMBL6922064 0.76 CYP3A4 (0.46) TGFBR1CYP3A4
SCHEMBL6922480 0.76 ACHE (0.44) TGFBR1CYP3A4
SCHEMBL6920592 0.76 CYP3A4 (0.38) TGFBR1CYP3A4
SCHEMBL6921512 0.76 CYP3A4 (0.42) TGFBR1CYP3A4
SCHEMBL14238872 0.76 CYP2C9 (0.39) TGFBR1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 TGFBR1 3543/4885MAPK14 2364/4885KDR 3370/4885

“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.