SCHEMBL3781579

SCHEMBL3781579

CC(C)(C)n1nc(-c2cc3ccccc3s2)c2c(N)ncnc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.73
PIK3CA P42336 2/20 0.73
PIK3CB P42338 2/20 0.73
PIK3CG P48736 2/20 0.73
PRKDC P78527 2/20 0.73
SRC P12931 11/20 0.64
ABL1 P00519 6/20 0.64
RET P07949 6/20 0.63
KDR P35968 5/20 0.63
PRKD3 O94806 4/20 0.60
PRKD2 Q9BZL6 4/20 0.60
RIPK2 O43353 3/20 0.60
FYN P06241 3/20 0.60
CSNK1D P48730 3/20 0.60
PRKD1 Q15139 3/20 0.60
CSK P41240 2/20 0.60
MAPK8 P45983 2/20 0.60
CDK2 P24941 1/20 0.60
PRKCE Q02156 1/20 0.60
CAMK2A Q9UQM7 1/20 0.60

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
SCHEMBL130720 0.85 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL27953710 0.80 PIK3CD (0.70) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL1964558 0.78 SRC (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL29390060 0.78 SRC (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL29390926 0.78 SRC (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL19463771 0.77 RET (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL6055053 0.77 SRC (0.64) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL22275942 0.77 PIK3CD (0.69) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL409031 0.76 SRC (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL173288 0.75 SRC (1.00) 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
US-9512125-B2 Substituted pyrazolo[3.4-D] pyrimidines as anti-inflammatory agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-06 US disclosed
US-9512125-B2 Substituted pyrazolo[3.4-D] pyrimidines as anti-inflammatory agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-12-06 US disclosed
US-20110144134-A1 Anti-Inflammatory Pyrazolopyrimndines THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-16 US disclosed
US-20110144134-A1 Anti-Inflammatory Pyrazolopyrimndines THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-06-16 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 US disclosed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 US disclosed
US-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-14 US disclosed
US-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-14 US disclosed
WO-2007126841-A2 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRX PHARMACEUTICALS, INC. (US) 2007-11-08 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 (4 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-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY SNCA, PARK7, PINK1 PIK3CD 3362/4885PIK3CA 4331/4885PIK3CB 2493/4885
US-20110144134-A1 Anti-Inflammatory Pyrazolopyrimndines TSLP, NLRP3, IL1B PIK3CD 3674/4885PIK3CA 3812/4885PIK3CB 3559/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B PIK3CD 2217/4885PIK3CA 3103/4885PIK3CB 1964/4885
US-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES TNF, TSLP, IL1B PIK3CD 3413/4885PIK3CA 2924/4885PIK3CB 2868/4885

“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.