SCHEMBL14720233

SCHEMBL14720233

Clc1cc(Cl)n2ncc(Cc3cccc(Cl)c3Cl)c2n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 4/20 0.42
PDE10A Q9Y233 1/20 0.39
PNMT P11086 1/20 0.37
KCNN3 Q9UGI6 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
IDO1 P14902 2/20 0.33
POLB P06746 1/20 0.33
PTPN11 Q06124 1/20 0.33
PIK3CD O00329 3/20 0.33
PIK3CA P42336 3/20 0.33
PIK3CG P48736 3/20 0.33
ADCY10 Q96PN6 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2A13 Q16696 1/20 0.32

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
SCHEMBL14720495 0.87 PNMT (0.38) PIK3CBPNMTKCNN3KDM4EALDH1A1
SCHEMBL15851255 0.79 ALDH1A1 (0.43) PIK3CBPDE10AKCNN3KDM4EALDH1A1
SCHEMBL14720451 0.77 PIK3CB (0.69) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL5119212 0.73 PDE10A (0.40) PIK3CBPDE10AKCNN3KDM4EALDH1A1
SCHEMBL14720111 0.73 PIK3CB (0.44) PIK3CBPDE10APNMTKCNN3KDM4E
SCHEMBL14287834 0.71 PDE10A (0.38) PIK3CBPDE10AKDM4EALDH1A1MAPT
SCHEMBL12953072 0.70 PDE10A (0.46) PDE10AKDM4EALDH1A1MAPTRAB9A
SCHEMBL14720340 0.70 PIK3CB (0.56) PIK3CBPIK3CDPIK3CAPIK3CGCYP2A13
SCHEMBL3302008 0.70 PNMT (0.68) PNMTKDM4EALDH1A1TAAR1IDO1
SCHEMBL13657198 0.68 PDE10A (0.35) PDE10AKDM4EALDH1A1MAPTRAB9A

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 PIK3CB 6/4885PDE10A 3018/4885PNMT 4737/4885

“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.