SCHEMBL1848609

SCHEMBL1848609

N#Cc1nn(CC(=O)O)c2ncnc(N)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATG7 O95352 1/20 0.43
PIK3CD O00329 4/20 0.41
PIK3CA P42336 3/20 0.41
PIK3CB P42338 3/20 0.41
PIK3CG P48736 3/20 0.41
PRKDC P78527 3/20 0.41
JAK3 P52333 4/20 0.40
JAK2 O60674 3/20 0.40
HDAC1 Q13547 3/20 0.40
MTOR P42345 5/20 0.40
KDR P35968 3/20 0.40
SRC P12931 3/20 0.40
ABL1 P00519 2/20 0.40
EGFR P00533 2/20 0.40
HCK P08631 2/20 0.40
EPHB4 P54760 2/20 0.40
LRRK2 Q5S007 2/20 0.40
KDM4E B2RXH2 1/20 0.39
FGFR2 P21802 1/20 0.38
DYRK1A Q13627 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
SCHEMBL1847885 0.82 ATG7 (0.43) ATG7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14201627 0.75 ATG7 (0.41) ATG7PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14471386 0.75 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1846817 0.71 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
Hydrochloric Acid SCHEMBL1846453 0.70 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1847493 0.69 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3779239 0.69 SRC (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL19283001 0.68 HDAC1 (0.51) JAK2HDAC1MTORKDRSRC
SCHEMBL23885289 0.67 XDH (0.39) PIK3CDPIK3CAPIK3CGPRKDCMTOR
SCHEMBL30052422 0.67 XDH (0.39) PIK3CDPIK3CAPIK3CGPRKDCMTOR

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
EP-2323663-B1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CHEMOCENTRYX INC (US) 2015-02-25 EP disclosed
US-8946240-B2 4-amino-3-(imidazolyl)-pyrazolo[3,4-D]pyrimidines CHEMOCENTRYX, INC. (US) 2015-02-03 US disclosed
US-20130178623-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CHEMOCENTRYX, INC. (US) 2013-07-11 US disclosed
US-8343975-B2 4-amino-3-(imidazolyl)-pyrazolo[3,4-D]pyrimidines CHEMOCENTRYX, INC. 2013-01-01 US disclosed
EP-2323663-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES ChemoCentryx, Inc. (US) 2011-05-25 EP disclosed
US-20100069396-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CHEMOCENTRYX, INC. (US) 2010-03-18 US disclosed
WO-2010030815-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CHEMOCENTRYX, INC. (US) 2010-03-18 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 (2 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-20100069396-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CCR1, CCR3, CCR4 ATG7 4577/4885PIK3CD 2346/4885PIK3CA 1855/4885
US-20130178623-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CCR1, CCR3, CCR4 ATG7 4577/4885PIK3CD 2346/4885PIK3CA 1855/4885

“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.