SCHEMBL6922600

SCHEMBL6922600

CNCCCc1nc2cc(-c3cccc(F)c3)ccc2c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.48
PDE10A Q9Y233 4/20 0.44
TNKS O95271 3/20 0.43
PARP2 Q9UGN5 3/20 0.43
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
TNKS2 Q9H2K2 1/20 0.41
ALDH1A1 P00352 1/20 0.39
ALPL P05186 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP14 Q460N5 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
SCHEMBL6921238 0.90 PDE10A (0.49) PARP1PDE10ATNKSPARP2TNKS2
SCHEMBL6920846 0.82 PARP1 (0.46) PARP1PDE10ATNKSPARP2PIM1
SCHEMBL6922724 0.79 PARP1 (0.48) PARP1PDE10ATNKSPARP2TNKS2
SCHEMBL6922750 0.78 PARP1 (0.48) PARP1PDE10APARP2TNKS2PARP14
SCHEMBL16261142 0.72 PARP1 (0.56) PARP1TNKS2ALDH1A1ALPLPARP14
SCHEMBL19116440 0.71 KDM4C (0.59) PARP1PDE10APARP2TNKS2ALDH1A1
SCHEMBL18824308 0.69 PARP1 (0.67) PARP1PDE10APARP2TNKS2SMN1; SMN2
SCHEMBL12066523 0.69 PDE10A (0.58) PARP1PDE10ATNKSPARP2TNKS2
SCHEMBL29040017 0.68 SMN1; SMN2 (0.47) PARP1TNKSPARP2SMN1; SMN2PARP14
SCHEMBL6790215 0.68 PARP1 (0.54) PARP1PDE10APARP2TNKS2ALDH1A1

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 1514/4885TNKS 2840/4885

“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.