SCHEMBL1194985

SCHEMBL1194985

C[C@@H]1CN(Cc2nc3c(N4CCOCC4)nc(Cl)nc3s2)C[C@H](C)N1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.33
ADORA2A P29274 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SLC29A1 Q99808 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
HTT P42858 1/20 0.31
MAPK1 P28482 1/20 0.31
HDAC1 Q13547 1/20 0.31
GAA P10253 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MLNR O43193 1/20 0.30
ATR Q13535 1/20 0.30
ATRIP Q8WXE1 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL1194982 1.00 PIK3CD (0.40) PIK3CDSMN1; SMN2ADORA2ANPSR1SLC29A1
SCHEMBL2111011 0.85 HRH3 (0.39) PIK3CDSMN1; SMN2ADORA2ASLC29A1KDM4E
SCHEMBL2673074 0.84 PIK3CD (0.40) PIK3CDSMN1; SMN2ADORA2ASLC29A1KDM4E
SCHEMBL1192715 0.82 PIK3CD (0.41) PIK3CDSMN1; SMN2ADORA2ANPSR1SLC29A1
SCHEMBL1193103 0.80 PIK3CD (0.44) PIK3CDPIK3CA
SCHEMBL1194593 0.80 PIK3CD (0.42) PIK3CDSMN1; SMN2ADORA2AKDM4EALDH1A1
SCHEMBL1195071 0.80 HRH3 (0.45) PIK3CDADORA2APIK3CAMTORHRH3
SCHEMBL2673358 0.79 PIK3CD (0.36) PIK3CDADORA2AKDM4EALDH1A1HTT
SCHEMBL2674886 0.79 PIK3CD (0.45) PIK3CDSMN1; SMN2ADORA2ASLC29A1KDM4E
SCHEMBL2674516 0.78 PIK3CD (0.61) PIK3CDPIK3CA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168633-B2 Thiazolopyrimidines and their use as inhibitors of phosphatidylinositol-3 kinase GENENTECH, INC. (US) 2012-05-01 US disclosed
US-8168633-B2 Thiazolopyrimidines and their use as inhibitors of phosphatidylinositol-3 kinase GENENTECH, INC. (US) 2012-05-01 US disclosed
US-8168633-B2 Thiazolopyrimidines and their use as inhibitors of phosphatidylinositol-3 kinase GENENTECH, INC. (US) 2012-05-01 US disclosed
EP-2158207-B1 THIAZOLIOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE HOFFMANN LA ROCHE (CH) 2011-05-25 EP disclosed
US-20110098270-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE HANCOX TIMOTHY COLIN 2011-04-28 US disclosed
US-20110098270-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE HANCOX TIMOTHY COLIN 2011-04-28 US disclosed
US-20110098270-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE HANCOX TIMOTHY COLIN 2011-04-28 US disclosed
US-7893060-B2 Thiazolopyrimidines and their use as inhibitors of phosphatidylinositol-3 kinase F. HOFFMANN-LA ROCHE AG (GB) 2011-02-22 US disclosed
US-7893060-B2 Thiazolopyrimidines and their use as inhibitors of phosphatidylinositol-3 kinase F. HOFFMANN-LA ROCHE AG (GB) 2011-02-22 US disclosed
US-7893060-B2 Thiazolopyrimidines and their use as inhibitors of phosphatidylinositol-3 kinase F. HOFFMANN-LA ROCHE AG (GB) 2011-02-22 US disclosed
US-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-07-29 US disclosed
US-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-07-29 US disclosed
US-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-07-29 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 (2 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-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE PDPK1, PIK3CA, PI4KA PIK3CD 4/4885SMN1; SMN2 3181/4885ADORA2A 1206/4885
US-20110098270-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE PIK3CA, PIK3CD, PI4KA PIK3CD 2/4885SMN1; SMN2 4043/4885ADORA2A 2464/4885

“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.