SCHEMBL56124

SCHEMBL56124

Oc1cccc(-c2nc(Br)c3cnn(-c4ccccc4)c3n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.62
MTOR P42345 5/20 0.62
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GRM1 Q13255 2/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.42
DPP4 P27487 1/20 0.42
ABL1 P00519 1/20 0.42
SRC P12931 1/20 0.42
NR3C1 P04150 1/20 0.41

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
SCHEMBL60444 0.85 PIK3CA (0.66) PIK3CAMTORMAPTKDM4EKMT2A
SCHEMBL4991670 0.80 PIK3CA (0.78) PIK3CAMTOR
SCHEMBL3991195 0.80 PIK3CA (0.61) PIK3CAMTOR
SCHEMBL55880 0.78 PIK3CA (0.62) PIK3CAMTOR
SCHEMBL56413 0.78 PIK3CA (0.65) PIK3CAMTOR
SCHEMBL3983421 0.77 PIK3CA (0.73) PIK3CAMTOR
SCHEMBL3991814 0.76 PIK3CA (0.43) PIK3CAMTORMAPTKDM4EKMT2A
SCHEMBL3985124 0.76 PIK3CA (0.60) PIK3CAMTOR
SCHEMBL54828 0.76 PIK3CA (0.57) PIK3CAMTOR
SCHEMBL61630 0.75 TSHR (0.51) PIK3CAMTORMAPTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
CN-101883774-A Thienopyrimidine and pyrazolopyrimidine compounds and their use as MTOR kinase and PI3 kinase inhibitors WYETH CORP 2010-11-10 CN disclosed
EP-2212333-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth LLC (US) 2010-08-04 EP disclosed
CN-101675051-A Pyrazolopyrimidine analogs and their use as mtor kinase and pi3 kinase inhibitors WYETH CORP 2010-03-17 CN disclosed
US-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US disclosed
US-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US disclosed
US-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US disclosed
EP-2078021-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-15 EP disclosed
WO-2009052145-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-23 WO disclosed
WO-2009052145-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-23 WO disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 US disclosed
WO-2008115974-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 WO disclosed
WO-2008115974-A2 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 WO disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 US disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 US disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 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 (3 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-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD PIK3CA 2/4885MTOR 1/4885MAPT 3265/4885
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD PIK3CA 2/4885MTOR 1/4885MAPT 2579/4885
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 PIK3CA 2/4885MTOR 1/4885MAPT 2531/4885

“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.