SCHEMBL561036

SCHEMBL561036

Cn1ncc2c(Cl)cc(-c3cccc4c(N)n[nH]c34)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.46
FLT3 P36888 1/20 0.46
PLK3 Q9H4B4 1/20 0.46
MAP4K4 O95819 1/20 0.43
CSF1R P07333 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
LTK P29376 1/20 0.43
KDR P35968 1/20 0.43
MAPK8 P45983 1/20 0.43
CSNK1A1 P48729 1/20 0.43
LIMK1 P53667 1/20 0.43
CDK5 Q00535 1/20 0.43
ACVR1 Q04771 1/20 0.43
TNK2 Q07912 1/20 0.43
AURKB Q96GD4 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
PIK3CA P42336 4/20 0.40
PIK3CD O00329 1/20 0.38

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
SCHEMBL561313 0.80 KMT2A (0.35) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL13354700 0.79 KMT2A (0.38) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL560911 0.78 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL559832 0.71 ADORA2A (0.38) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC
SCHEMBL561748 0.67 TRPA1 (0.47) PLK3MAP4K4FGFR1KDRCSNK1A1
SCHEMBL29467448 0.66 PDE2A (0.49) PDE2AKMT2AKDM4EMAPTMEN1
SCHEMBL561004 0.66 PDE2A (0.49) PDE2AKMT2AKDM4EMAPTMEN1
SCHEMBL3004142 0.65 CHEK1 (1.00) CHEK1FLT3PLK3MAP4K4CSF1R
SCHEMBL29133371 0.65 PDE2A (0.47) PDE2AKMT2AKDM4EMAPTMEN1
SCHEMBL29467455 0.64 KMT2A (0.41) PIK3CAPIK3CDPIK3CBPIK3CGPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653098-B2 Pyrazolopyridine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-02-18 US disclosed
US-8653098-B2 Pyrazolopyridine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-02-18 US disclosed
US-8653098-B2 Pyrazolopyridine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2014-02-18 US disclosed
EP-2356117-B1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2012-09-26 EP disclosed
EP-2356117-B1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2012-09-26 EP disclosed
US-20120035208-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2012-02-09 US disclosed
US-20120035208-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2012-02-09 US disclosed
US-20120035208-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2012-02-09 US disclosed
EP-2356117-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-08-17 EP disclosed
WO-2010059788-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-05-27 WO disclosed
WO-2010059788-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-05-27 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-20120035208-A1 PYRAZOLOPYRIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PI4KA CHEK1 329/4885FLT3 499/4885PLK3 74/4885

“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.