SCHEMBL10085358

SCHEMBL10085358

COc1cncc(N2CCc3nc(NC(C)=O)sc3C2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 1.00
NTRK1 P04629 1/20 0.59
PRKDC P78527 1/20 0.59
PIK3CD O00329 1/20 0.45
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
OGA O60502 1/20 0.42
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL12307839 0.90 PIK3CG (0.81) PIK3CGNTRK1PRKDCPIK3CDNPC1
SCHEMBL10085351 0.86 PIK3CG (0.76) PIK3CGNTRK1PRKDCPIK3CDNPC1
SCHEMBL10085333 0.85 PIK3CG (0.74) PIK3CGNTRK1PRKDCPIK3CDNPC1
SCHEMBL608642 0.83 PIK3CG (0.71) PIK3CGNTRK1PRKDCPIK3CDNPC1
SCHEMBL12307638 0.82 PIK3CG (0.70) PIK3CGNTRK1PRKDCPIK3CDNPC1
SCHEMBL10085359 0.82 PIK3CG (1.00) PIK3CGNTRK1PRKDCPIK3CDNPC1
SCHEMBL10086272 0.82 PIK3CG (0.70) PIK3CGNTRK1PRKDCPIK3CDNPC1
SCHEMBL10085356 0.82 PIK3CG (1.00) PIK3CGPIK3CDNPC1CYP1A2CYP2D6
SCHEMBL611281 0.82 PIK3CG (0.69) PIK3CGNTRK1PRKDCNPC1HPGD
SCHEMBL10085410 0.82 PIK3CG (0.69) PIK3CGNTRK1PRKDCPIK3CDNPC1

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 5 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
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 3/4885NTRK1 1466/4885PRKDC 60/4885

“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.