SCHEMBL14720101

SCHEMBL14720101

Cc1ccccc1Cc1c(C)nn2c(Cl)cc(-c3ccncc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.41
PIK3CA P42336 5/20 0.41
PIK3CB P42338 5/20 0.41
PIK3CG P48736 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.38
USP2 O75604 2/20 0.37
HTR6 P50406 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
LTA4H P09960 1/20 0.36
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
APAF1 O14727 1/20 0.35

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
SCHEMBL14720445 0.87 KDM4E (0.42) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
Acetic Acid SCHEMBL14720357 0.82 KDM4E (0.43) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL14720359 0.81 KDM4E (0.42) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL14723228 0.80 MAPT (0.38) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL14720301 0.77 PIK3CB (0.53) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL14720221 0.76 PIK3CB (0.58) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL15856062 0.73 PIK3CB (0.46) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
Acetic Acid SCHEMBL14720443 0.73 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL14720444 0.72 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2
SCHEMBL15843945 0.71 GSK3B (0.50) PIK3CDPIK3CAPIK3CBPIK3CGSMN1; SMN2

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.