SCHEMBL4064733

SCHEMBL4064733

Cc1csc(CN[C@H]2Cc3ccc(N)cc3C2)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.49
PDE10A Q9Y233 1/20 0.38
GRIN2B Q13224 1/20 0.37
DRD2 P14416 2/20 0.36
MTTP P55157 2/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
HSP90AA1 P07900 1/20 0.33
FYN P06241 1/20 0.33
NQO2 P16083 3/20 0.32
NOS1 P29475 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1I3 Q14994 1/20 0.31

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
SCHEMBL3506829 0.75 PDE10A (0.51) SMOPDE10ARAB9ANPC1HSP90AA1
SCHEMBL6467142 0.72 PDE10A (0.49) PDE10ARAB9ANPC1
SCHEMBL10290992 0.72 PDE10A (0.49) SMOPDE10ARAB9ANPC1SMN1; SMN2
SCHEMBL6561200 0.69 DRD2 (0.52) GRIN2BDRD2
SCHEMBL6255168 0.68 GRIN2B (0.51) GRIN2BDRD2FYN
SCHEMBL4392502 0.68 SMO (0.53) SMOGRIN2BMTTPFYNSMN1; SMN2
SCHEMBL7909108 0.68 SMO (0.53) SMOGRIN2BMTTPFYNSMN1; SMN2
Hydrochloric Acid SCHEMBL7906095 0.67 SMO (0.53) SMOGRIN2BMTTPFYN
SCHEMBL14515547 0.66 PSEN1 (0.40) GRIN2BDRD2RAB9ANPC1SMN1; SMN2
SCHEMBL6253652 0.66 GRIN2B (0.44) GRIN2BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306149-A1 USE OF BIARYLCARBOXAMIES IN THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS NOVARTIS AG (CH) 2009-12-10 US disclosed
EP-2010170-A2 USE OF BIARYLCARBOXAMIDES IN THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS Novartis AG (CH) 2009-01-07 EP disclosed
WO-2007120827-A2 USE OF BIARYLCARBOXAMIDES IN THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS NOVARTIS AG (CH) 2007-10-25 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-20090306149-A1 USE OF BIARYLCARBOXAMIES IN THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS GLI1, SHH, GLI2 SMO 4/4885PDE10A 2955/4885GRIN2B 804/4885

“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.