SCHEMBL10085338

SCHEMBL10085338

COCC(=O)Nc1nc2c(s1)CN(c1cncc(OC)c1)CC2

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.79
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
PIK3CD O00329 1/20 0.47
ALOX15 P16050 1/20 0.47
LMNA P02545 2/20 0.46
THRB P10828 1/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 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
SCHEMBL10085434 0.91 PIK3CG (0.80) PIK3CGALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL10085354 0.91 PIK3CG (0.79) PIK3CGALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL10085342 0.90 PIK3CG (0.63) PIK3CGALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL10085356 0.88 PIK3CG (1.00) PIK3CGALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL10085716 0.86 PIK3CG (0.59) PIK3CGALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL609523 0.86 PIK3CG (1.00) PIK3CGNPC1CYP1A2CYP2D6HPGD
SCHEMBL10085348 0.85 PIK3CG (0.79) PIK3CGMAPTSMN1; SMN2MEN1HTT
SCHEMBL10086274 0.82 PIK3CG (0.74) PIK3CGMAPTSMN1; SMN2MEN1HTT
SCHEMBL609805 0.81 PIK3CG (1.00) PIK3CGNPC1CYP1A2CYP2D6HPGD
SCHEMBL798644 0.77 PIK3CG (0.66) PIK3CGMAPTSMN1; SMN2MEN1HTT

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 3/4885ALDH1A1 3251/4885MAPT 1613/4885

“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.