SCHEMBL13640276

SCHEMBL13640276

Clc1nc(N2CCOCC2)c2cc(CN3CCCCC3)sc2n1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.52
PIK3CB P42338 5/20 0.52
ADORA2A P29274 13/20 0.48
ADORA1 P30542 11/20 0.48
HRH3 Q9Y5N1 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1182397 0.90 HRH3 (0.56) PIK3CAPIK3CBADORA2AADORA1HRH3
SCHEMBL190250 0.88 PIK3CA (0.50) PIK3CAPIK3CBADORA2AADORA1SMN1; SMN2
SCHEMBL190119 0.88 PIK3CA (0.66) PIK3CAPIK3CBADORA2AADORA1SMN1; SMN2
SCHEMBL1181730 0.86 PIK3CA (0.53) PIK3CAPIK3CBADORA2AADORA1HRH3
SCHEMBL1181231 0.86 PIK3CA (0.50) PIK3CAPIK3CBADORA2AADORA1HRH3
SCHEMBL14898422 0.85 PIK3CA (0.50) PIK3CAPIK3CBADORA2AADORA1SMN1; SMN2
SCHEMBL993554 0.85 PIK3CA (0.50) PIK3CAPIK3CBADORA2AADORA1HRH3
SCHEMBL190321 0.85 PIK3CA (0.64) PIK3CAPIK3CB
SCHEMBL4437399 0.85 PIK3CA (0.55) PIK3CAPIK3CBADORA2AADORA1SMN1; SMN2
SCHEMBL189959 0.84 PIK3CA (0.68) PIK3CAPIK3CB

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-8697693-B2 Pharmaceutical compounds F. Hoffmann LaRoche AG (CH) 2014-04-15 US disclosed
US-20120283257-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-08 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-20120283257-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, PIK3R5 PIK3CA 1/4885PIK3CB 6/4885ADORA2A 1359/4885

“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.