SCHEMBL1850197

SCHEMBL1850197

Nc1ncnc2n[nH]c(-c3ncc[nH]3)c12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.55
PIK3CA P42336 18/20 0.55
PIK3CB P42338 18/20 0.55
PIK3CG P48736 18/20 0.55
PRKDC P78527 18/20 0.55
ABL1 P00519 3/20 0.52
SRC P12931 3/20 0.52
NUDT14 O95848 1/20 0.47
NUDT5 Q9UKK9 1/20 0.47
EGFR P00533 2/20 0.46
HCK P08631 2/20 0.46
KDR P35968 2/20 0.46
MTOR P42345 2/20 0.46
EPHB4 P54760 2/20 0.46
PI4KB Q9UBF8 2/20 0.46
RET P07949 1/20 0.45

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
SCHEMBL1844412 0.73 MTOR (0.33) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8326897 0.71 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30387566 0.69 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3420175 0.69 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL14742662 0.67 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3422985 0.67 ABL1 (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL3423942 0.67 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL18493857 0.67 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL2905037 0.67 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8975540 0.67 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102159213-B 4-amino-3-(imidazolyl)-pyrazolo[3,4-d]pyrimidines CHEMOCENTRYX INC 2015-05-27 CN disclosed
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-A4 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CHEMOCENTRYX INC (US) 2012-05-30 EP disclosed
CN-102159213-A 4-amino-3-(imidazolyl)-pyrazolo[3,4-d]pyrimidines CHEMOCENTRYX INC 2011-08-17 CN disclosed
EP-2323663-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES ChemoCentryx, Inc. (US) 2011-05-25 EP disclosed
EP-2323663-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES ChemoCentryx, Inc. (US) 2011-05-25 EP disclosed
WO-2010030815-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CHEMOCENTRYX, INC. (US) 2010-03-18 WO 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 PIK3CD 2346/4885PIK3CA 1855/4885PIK3CB 2380/4885
US-20130178623-A1 4-AMINO-3-(IMIDAZOLYL)-PYRAZOLO[3,4-D]PYRIMIDINES CCR1, CCR3, CCR4 PIK3CD 2346/4885PIK3CA 1855/4885PIK3CB 2380/4885

“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.