SCHEMBL993554

SCHEMBL993554

Clc1nc(N2CCOCC2)c2cc(CN3CCN(C4CC4)CC3)sc2n1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.50
PIK3CB P42338 6/20 0.50
HRH3 Q9Y5N1 3/20 0.49
PIK3CD O00329 1/20 0.43
ADORA2A P29274 9/20 0.42
ADORA1 P30542 7/20 0.42
SMN1; SMN2 Q16637 1/20 0.40

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 0.91 HRH3 (0.56) PIK3CAPIK3CBHRH3ADORA2AADORA1
SCHEMBL1181231 0.86 PIK3CA (0.50) PIK3CAPIK3CBHRH3ADORA2AADORA1
SCHEMBL190119 0.86 PIK3CA (0.66) PIK3CAPIK3CBADORA2AADORA1SMN1; SMN2
SCHEMBL13640276 0.85 PIK3CA (0.52) PIK3CAPIK3CBHRH3ADORA2AADORA1
SCHEMBL189706 0.85 PIK3CA (0.55) PIK3CAPIK3CBPIK3CDADORA2AADORA1
SCHEMBL1181730 0.84 PIK3CA (0.53) PIK3CAPIK3CBHRH3ADORA2AADORA1
SCHEMBL190250 0.84 PIK3CA (0.50) PIK3CAPIK3CBADORA2AADORA1SMN1; SMN2
SCHEMBL14898422 0.83 PIK3CA (0.50) PIK3CAPIK3CBADORA2AADORA1SMN1; SMN2
SCHEMBL993955 0.83 PIK3CD (0.57) PIK3CAPIK3CBPIK3CD
SCHEMBL4437399 0.82 PIK3CA (0.55) PIK3CAPIK3CBADORA2AADORA1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205610-B1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
US-8293735-B2 Thienopyrimidine derivatives as P13K inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2012-10-23 US disclosed
US-8293735-B2 Thienopyrimidine derivatives as P13K inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2012-10-23 US disclosed
US-8293735-B2 Thienopyrimidine derivatives as P13K inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2012-10-23 US disclosed
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 US disclosed
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 US disclosed
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 US disclosed
WO-2009053715-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 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-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3CB 3/4885HRH3 1906/4885

“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.