SCHEMBL14723228

SCHEMBL14723228

Cc1ccccc1Cc1c(C)nn2c(-c3cn[nH]c3)cc(-c3ccncc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.37
CHEK1 O14757 1/20 0.36
PIK3CD O00329 4/20 0.36
PIK3CA P42336 4/20 0.36
PIK3CB P42338 4/20 0.36
PIK3CG P48736 4/20 0.36
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR6 P50406 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ALDH1A1 P00352 2/20 0.33
USP2 O75604 2/20 0.33
MAPK1 P28482 2/20 0.33

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
SCHEMBL14720101 0.80 PIK3CD (0.41) MAPTTP53PIK3CDPIK3CAPIK3CB
SCHEMBL14720445 0.80 KDM4E (0.42) MAPTTP53PIK3CDPIK3CAPIK3CB
SCHEMBL14720359 0.76 KDM4E (0.42) MAPTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14728428 0.76 ROCK2 (0.30) ROCK2ROCK1
Acetic Acid SCHEMBL14720357 0.76 KDM4E (0.43) MAPTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14720221 0.68 PIK3CB (0.58) MAPTTP53PIK3CDPIK3CAPIK3CB
SCHEMBL15856062 0.67 PIK3CB (0.46) MAPTTP53CHEK1PIK3CDPIK3CA
SCHEMBL14720301 0.67 PIK3CB (0.53) MAPTTP53PIK3CDPIK3CAPIK3CB
SCHEMBL15843945 0.66 GSK3B (0.50) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL14721912 0.65 PIK3CB (0.61) PIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096605-B2 Pyrazolopyrimidine derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-08-04 US disclosed
US-9096605-B2 Pyrazolopyrimidine derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-08-04 US disclosed
US-9096605-B2 Pyrazolopyrimidine derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-08-04 US disclosed
US-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-03 US disclosed
US-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-03 US disclosed
US-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-03 US disclosed
WO-2013028263-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 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-20140187545-A1 Pyrazolopyrimidine Derivatives As PI3 Kinase Inhibitors PI4KB, PIK3CA, PI4K2B MAPT 2035/4885TP53 151/4885CHEK1 131/4885

“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.