SCHEMBL10085351

SCHEMBL10085351

CC(=O)Nc1nc2c(s1)CN(c1cncc(C)n1)CC2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.76
NTRK1 P04629 1/20 0.45
PRKDC P78527 1/20 0.45
OGA O60502 2/20 0.44
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
PIK3CD O00329 1/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 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
SCHEMBL10085333 0.88 PIK3CG (0.74) PIK3CGNTRK1PRKDCOGAGAA
SCHEMBL10085358 0.86 PIK3CG (1.00) PIK3CGNTRK1PRKDCOGAGAA
SCHEMBL10086272 0.85 PIK3CG (0.70) PIK3CGNTRK1PRKDCOGAGAA
SCHEMBL611281 0.84 PIK3CG (0.69) PIK3CGNTRK1PRKDCOGAGAA
SCHEMBL10085345 0.81 PIK3CG (0.76) PIK3CGNTRK1PRKDCOGAGAA
SCHEMBL10085410 0.80 PIK3CG (0.69) PIK3CGNTRK1PRKDCOGAGAA
SCHEMBL608642 0.80 PIK3CG (0.71) PIK3CGNTRK1PRKDCOGAGAA
SCHEMBL12307735 0.78 PIK3CG (0.76) PIK3CGOGAGAAALDH1A1POLB
SCHEMBL12307547 0.78 PIK3CG (0.60) PIK3CGNTRK1PRKDCGAAALDH1A1
SCHEMBL10085357 0.77 PIK3CG (1.00) PIK3CGOGAGAAALDH1A1POLB

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 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.