SCHEMBL608796

SCHEMBL608796

COc1cncc(N2CCc3nc(N)sc3C2)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.66
CHRNB2 P17787 4/20 0.45
CHRNA4 P43681 4/20 0.45
RAD52 P43351 1/20 0.44
RECQL P46063 1/20 0.44
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 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
SCHEMBL10085405 0.84 RAD52 (0.47) PIK3CGCHRNB2CHRNA4RAD52RECQL
SCHEMBL10085356 0.79 PIK3CG (1.00) PIK3CG
SCHEMBL171588 0.79 PIK3CG (0.67) PIK3CGRAD52RECQL
SCHEMBL10085404 0.79 PIK3CG (0.44) PIK3CGRAD52RECQL
SCHEMBL10085705 0.78 PIK3CG (0.67) PIK3CGCHRNB2CHRNA4RAD52RECQL
SCHEMBL13257069 0.78 PIK3CG (0.61) PIK3CGCHRNB2CHRNA4RAD52RECQL
SCHEMBL609046 0.77 PIK3CG (0.66) PIK3CGCHRNB2CHRNA4
SCHEMBL10085434 0.77 PIK3CG (0.80) PIK3CG
SCHEMBL12307729 0.77 RAD52 (0.49) PIK3CGRAD52RECQL
SCHEMBL10085338 0.76 PIK3CG (0.79) PIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524906-B2 Tetrahydrothiazolopyridine inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-8524906-B2 Tetrahydrothiazolopyridine inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
EP-2398810-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2011-12-28 EP disclosed
WO-2010096389-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-26 WO disclosed
WO-2010096389-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-26 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-20120039849-A1 TETRAHYDROTHIAZOLOPYRIDINE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIK3CG PIK3CG 3/4885CHRNB2 4059/4885CHRNA4 3915/4885

“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.