SCHEMBL10085362

SCHEMBL10085362

COc1cccc(N2CCc3nc(NC(C)=O)sc3C2)c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.76
HPGD P15428 2/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
MAPT P10636 3/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPK1 P28482 1/20 0.56
TP53 P04637 1/20 0.53
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
TDP2 O95551 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PDGFRB P09619 1/20 0.47
KDR P35968 1/20 0.47
GRM5 P41594 1/20 0.46

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
SCHEMBL10085356 0.87 PIK3CG (1.00) PIK3CGHPGDNPC1RAB9ACYP1A2
SCHEMBL12307656 0.86 PIK3CG (0.78) PIK3CGHPGDNPC1RAB9ACYP1A2
SCHEMBL10085355 0.85 PIK3CG (0.74) PIK3CGHPGDNPC1RAB9ACYP1A2
SCHEMBL10085363 0.83 PIK3CG (0.75) PIK3CGHPGDNPC1RAB9ACYP1A2
SCHEMBL10085357 0.81 PIK3CG (1.00) PIK3CGNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL799274 0.81 PIK3CG (0.53) PIK3CGHPGDNPC1RAB9ACYP1A2
SCHEMBL10085359 0.80 PIK3CG (1.00) PIK3CGHPGDNPC1RAB9ACYP1A2
SCHEMBL12307735 0.80 PIK3CG (0.76) PIK3CGHPGDNPC1RAB9ACYP1A2
SCHEMBL10085343 0.79 PIK3CG (1.00) PIK3CGHPGDNPC1RAB9ACYP1A2
SCHEMBL10085358 0.77 PIK3CG (1.00) PIK3CGHPGDNPC1RAB9ACYP1A2

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 3/4885HPGD 1678/4885NPC1 1251/4885

“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.