SCHEMBL1194498

SCHEMBL1194498

Cc1nc2c(s1)c(=O)[nH]c(=O)n2Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.57
POLB P06746 3/20 0.57
HPGD P15428 5/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
TSHR P16473 3/20 0.56
HTT P42858 2/20 0.56
PSMD14 O00487 1/20 0.56
ADORA3 P0DMS8 2/20 0.53
PNP P00491 1/20 0.51
TLR7 Q9NYK1 1/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPT P10636 3/20 0.51
HSD17B10 Q99714 2/20 0.51
PKM P14618 2/20 0.51
MCL1 Q07820 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 2/20 0.50
BRD4 O60885 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL1849031 0.78 MAPT (0.53) KDM4EPOLBHPGDMEN1KMT2A
SCHEMBL1193842 0.78 KDM4E (0.50) KDM4EPOLBHPGDMEN1KMT2A
SCHEMBL4624542 0.75 PNP (0.60) KDM4EPOLBHPGDMEN1KMT2A
SCHEMBL8439184 0.75 PNP (0.61) KDM4EPOLBHPGDMEN1KMT2A
SCHEMBL10080438 0.72 ERCC5 (0.41) KDM4EHPGDMEN1KMT2ATSHR
SCHEMBL7834509 0.70 HPGD (0.55) KDM4EPOLBHPGDMEN1KMT2A
SCHEMBL5641835 0.69 PNP (0.60) KDM4EPOLBHPGDMEN1KMT2A
SCHEMBL6348692 0.69 BRAF (0.72) KDM4EPOLBMEN1KMT2ATSHR
SCHEMBL9386107 0.69 ALDH1A1 (0.58) KDM4EPOLBHPGDMEN1KMT2A
SCHEMBL9328835 0.69 BRD4 (0.72) KDM4EPOLBHPGDMEN1KMT2A

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 15 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
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
WO-2008152390-A1 THIAZOLIOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 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 (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 KDM4E 2894/4885POLB 1216/4885HPGD 3170/4885
US-20110098270-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE PIK3CA, PIK3CD, PI4KA KDM4E 3798/4885POLB 892/4885HPGD 3139/4885

“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.