SCHEMBL10085402

SCHEMBL10085402

COc1ncc(N2CCc3nc(N)sc3C2)nc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.46
RECQL P46063 1/20 0.46
PIK3CG P48736 7/20 0.42
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR2A P28223 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
OPRK1 P41145 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PIK3CD O00329 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL611226 0.91 RAD52 (0.48) RAD52RECQLPIK3CGDRD2DRD3
SCHEMBL10085410 0.80 PIK3CG (0.69) PIK3CGALDH1A1PIK3CDNTRK1PRKDC
SCHEMBL171588 0.78 PIK3CG (0.67) RAD52RECQLPIK3CGPIK3CD
SCHEMBL31143330 0.73 RAD52 (0.47) RAD52RECQLPIK3CGDRD2DRD3
SCHEMBL798851 0.73 RAD52 (0.44) RAD52RECQLPIK3CGDRD2DRD3
SCHEMBL10085407 0.72 ALDH1A1 (0.35) PIK3CGMAPTLMNAKDM4EALDH1A1
SCHEMBL608796 0.71 PIK3CG (0.66) RAD52RECQLPIK3CG
SCHEMBL10085705 0.70 PIK3CG (0.67) RAD52RECQLPIK3CGPIK3CD
SCHEMBL608642 0.70 PIK3CG (0.71) PIK3CGMAPTKDM4EALDH1A1PIK3CD
SCHEMBL17933911 0.70 GRIN2D (0.51) RAD52RECQLDRD2DRD3MAPT

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-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

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 RAD52 3832/4885RECQL 1250/4885PIK3CG 3/4885

“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.