SCHEMBL13033658

SCHEMBL13033658

Cn1c(-c2cc(N3CCN(C(=O)[C@H]4COCCN4)CC3)ccc2F)nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 6/20 0.42
PIK3CD O00329 5/20 0.42
PIK3CA P42336 4/20 0.42
PIK3CG P48736 3/20 0.42
SMO Q99835 10/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KHK P50053 2/20 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
SCHEMBL13033657 1.00 PIK3CB (0.42) PIK3CBPIK3CDPIK3CAPIK3CGSMO
SCHEMBL3511108 0.87 KHK (0.50) PIK3CBPIK3CDPIK3CAPIK3CGSMO
SCHEMBL3511104 0.87 KHK (0.50) PIK3CBPIK3CDPIK3CAPIK3CGSMO
SCHEMBL13033675 0.87 KHK (0.50) PIK3CBPIK3CDPIK3CAPIK3CGSMO
Hydrochloric Acid SCHEMBL3508674 0.87 KHK (0.49) PIK3CBPIK3CDPIK3CAPIK3CGSMO
Hydrochloric Acid SCHEMBL3508669 0.87 KHK (0.49) PIK3CBPIK3CDPIK3CAPIK3CGSMO
SCHEMBL13033568 0.86 SMO (0.50) PIK3CBPIK3CDPIK3CAPIK3CGSMO
SCHEMBL3508390 0.86 SMO (0.50) PIK3CBPIK3CDPIK3CAPIK3CGSMO
SCHEMBL13033570 0.86 SMO (0.50) PIK3CBPIK3CDPIK3CAPIK3CGSMO
Hydrochloric Acid SCHEMBL3509341 0.85 SMO (0.49) PIK3CBPIK3CDPIK3CAPIK3CGSMO

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 PIK3CB 591/4885PIK3CD 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.