SCHEMBL6920846

SCHEMBL6920846

COCCc1nc2cc(-c3cccc(F)c3)ccc2c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.46
PDE10A Q9Y233 4/20 0.43
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
TNKS2 Q9H2K2 2/20 0.43
ENPP1 P22413 1/20 0.42
TNKS O95271 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HCAR2 Q8TDS4 1/20 0.40
PARP14 Q460N5 2/20 0.40
PARP2 Q9UGN5 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
SCHEMBL2054275 0.84 ENPP1 (0.41) PARP1PDE10AENPP1SMN1; SMN2HCAR2
SCHEMBL6922600 0.82 PARP1 (0.48) PARP1PDE10APIM1PIM2TNKS2
SCHEMBL6922724 0.81 PARP1 (0.48) PARP1PDE10ATNKS2TNKSSMN1; SMN2
SCHEMBL6920370 0.77 NPC1 (0.46) PARP1PDE10ATNKS2SMN1; SMN2PARP14
SCHEMBL6921853 0.76 CYP3A4 (0.45) PDE10ATNKS2
SCHEMBL19116440 0.72 KDM4C (0.59) PARP1PDE10ATNKS2ENPP1SMN1; SMN2
SCHEMBL6921238 0.71 PDE10A (0.49) PARP1PDE10ATNKS2TNKSSMN1; SMN2
SCHEMBL12066523 0.70 PDE10A (0.58) PARP1PDE10ATNKS2TNKSSMN1; SMN2
SCHEMBL17298079 0.69 TNKS2 (0.62) PARP1PDE10ATNKS2ENPP1SMN1; SMN2
SCHEMBL12059535 0.69 CYP3A4 (0.41) TNKS2

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 PARP1 3551/4885PDE10A 1514/4885PIM1 4672/4885

“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.