SCHEMBL13033570

SCHEMBL13033570

Cn1c(-c2cccc(N3CCN(C(=O)[C@@H]4COCCN4)CC3)c2)nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMO Q99835 9/20 0.50
PIK3CD O00329 4/20 0.42
PIK3CA P42336 4/20 0.42
PIK3CB P42338 4/20 0.42
PIK3CG P48736 3/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KHK P50053 2/20 0.39
PHGDH O43175 1/20 0.39
KDM4E B2RXH2 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38

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
SCHEMBL3508390 1.00 SMO (0.50) SMOPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13033568 1.00 SMO (0.50) SMOPIK3CDPIK3CAPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL3509341 0.99 SMO (0.49) SMOPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13033778 0.89 SMO (0.52) SMOPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13033608 0.87 PIK3CB (0.46) SMOPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13033539 0.87 KHK (0.52) SMOPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13033577 0.87 KHK (0.52) SMOPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13033744 0.86 KHK (0.53) SMOPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13033732 0.86 KHK (0.53) SMOPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13033548 0.86 KHK (0.53) SMOPIK3CDPIK3CAPIK3CBPIK3CG

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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 US disclosed
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 US 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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO SMO 3/4885PIK3CD 782/4885PIK3CA 732/4885

“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.