SCHEMBL1961433

SCHEMBL1961433

CC(C)(C)n1nc(Cc2ccc3c(c2)OCO3)c2c(N)ncnc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.62
AKT1 P31749 1/20 0.62
ABL1 P00519 6/20 0.54
RIPK2 O43353 3/20 0.54
FYN P06241 3/20 0.54
PRKACA P17612 3/20 0.54
CSNK1A1 P48729 3/20 0.54
MAPK14 Q16539 3/20 0.54
PRKD3 O94806 2/20 0.54
CSK P41240 2/20 0.54
PRKD2 Q9BZL6 2/20 0.54
MAPK8 P45983 2/20 0.54
CDK2 P24941 1/20 0.54
CSNK1E P49674 1/20 0.54
PRKD1 Q15139 1/20 0.54
CDK12 Q9NYV4 1/20 0.54
CAMK2A Q9UQM7 1/20 0.54
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
LTB4R Q15722 1/20 0.47

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
SCHEMBL12551738 0.81 SRC (0.69) SRCAKT1ABL1RIPK2FYN
SCHEMBL1961578 0.80 SRC (0.74) SRCAKT1ABL1RIPK2FYN
SCHEMBL13063873 0.80 SRC (0.64) SRCAKT1ABL1RIPK2FYN
SCHEMBL1964152 0.79 SRC (0.66) SRCAKT1ABL1RIPK2FYN
SCHEMBL7095503 0.79 SRC (0.69) SRCAKT1ABL1RIPK2FYN
SCHEMBL3613762 0.79 SRC (0.64) SRCABL1RIPK2FYNPRKACA
SCHEMBL1318810 0.79 SRC (0.79) SRCAKT1ABL1RIPK2FYN
SCHEMBL13019703 0.78 SRC (0.65) SRCAKT1ABL1RIPK2FYN
SCHEMBL1964244 0.78 SRC (0.75) SRCAKT1ABL1RIPK2FYN
SCHEMBL409554 0.78 SRC (0.65) SRCAKT1ABL1RIPK2FYN

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 9 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-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-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-14 US disclosed
EP-1140938-B1 HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF UNIV PRINCETON (US) 2003-08-27 EP disclosed
EP-1321467-A2 High affinity inhibitors for target validation and uses thereof Princeton University (US) 2003-06-25 EP disclosed
US-20030073218-A1 High affinity inhibitors for target validation and uses thereof PRINCETON UNIVERSITY 2003-04-17 US disclosed
US-6383790-B1 PYRAZOLO(3,4-D)PYRIMIDINE BASED COMPOUND; ANTICARCINOGENIC AGENTS; ANTITUMOR AGENTS PRINCETON UNIVERSITY 2002-05-07 US 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-20110144134-A1 Anti-Inflammatory Pyrazolopyrimndines TSLP, NLRP3, IL1B SRC 3970/4885AKT1 4799/4885ABL1 2987/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B SRC 1332/4885AKT1 968/4885ABL1 1725/4885
US-20090124638-A1 ANTI-INFLAMMATORY PYRAZOLOPYRIMIDINES TNF, TSLP, IL1B SRC 3920/4885AKT1 4779/4885ABL1 2533/4885
US-20030073218-A1 High affinity inhibitors for target validation and uses thereof SRC, MARCKS, TEC SRC 1/4885AKT1 263/4885ABL1 18/4885

“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.