SCHEMBL14720396

SCHEMBL14720396

O=c1cc(-c2ccncc2)[nH]c2c(Cc3ccccc3Cl)c(O)nn12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.38
PIK3CA P42336 4/20 0.38
PIK3CB P42338 4/20 0.38
PIK3CG P48736 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CDC7 O00311 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P2RX7 Q99572 1/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM4A O75164 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
MAPK3 P27361 1/20 0.34
MAPK1 P28482 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
NLRP3 Q96P20 1/20 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
SCHEMBL14720380 0.81 PIK3CB (0.48) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
Acetic Acid SCHEMBL14720273 0.79 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL13516642 0.76 MEN1 (0.43) SMN1; SMN2MAPTL3MBTL1PDE3BPDE3A
Acetic Acid SCHEMBL14720283 0.76 CDC7 (0.38) CDC7
SCHEMBL23125706 0.73 DPP4 (0.35) SMN1; SMN2MAPTL3MBTL1KDM4CKDM4A
SCHEMBL15843956 0.72 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL5380257 0.70 MAPT (0.49) SMN1; SMN2CDC7MAPTL3MBTL1P2RX7
SCHEMBL13516268 0.68 GLO1 (0.41)
SCHEMBL13516492 0.67 PSD (0.41) KDM4CKDM4AKDM5B
SCHEMBL13516059 0.67 ALDH1A1 (0.35) SMN1; SMN2MAPT

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 3 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-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 PIK3CD 7/4885PIK3CA 2/4885PIK3CB 6/4885

“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.