SCHEMBL7095503

SCHEMBL7095503

CC(C)(C)n1nc(Cc2ccc3ccccc3c2)c2c(N)ncnc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.69
AKT1 P31749 1/20 0.69
ABL1 P00519 6/20 0.66
RIPK2 O43353 2/20 0.66
PRKD3 O94806 2/20 0.66
FYN P06241 2/20 0.66
CDK2 P24941 2/20 0.66
CSK P41240 2/20 0.66
MAPK8 P45983 2/20 0.66
PRKD1 Q15139 2/20 0.66
PRKD2 Q9BZL6 2/20 0.66
CAMK2A Q9UQM7 2/20 0.66
PRKACA P17612 1/20 0.66
CSNK1A1 P48729 1/20 0.66
CSNK1E P49674 1/20 0.66
MAPK14 Q16539 1/20 0.66
CDK12 Q9NYV4 1/20 0.66
PIK3CD O00329 1/20 0.64
PIK3CA P42336 1/20 0.64
PIK3CB P42338 1/20 0.64

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
SCHEMBL3785884 0.86 SRC (0.74) SRCAKT1ABL1RIPK2PRKD3
SCHEMBL12551744 0.85 SRC (0.67) SRCAKT1ABL1RIPK2PRKD3
SCHEMBL1318810 0.84 SRC (0.79) SRCAKT1ABL1RIPK2PRKD3
SCHEMBL12551738 0.84 SRC (0.69) SRCAKT1ABL1RIPK2PRKD3
SCHEMBL13019712 0.83 SRC (0.74) SRCAKT1ABL1RIPK2PRKD3
SCHEMBL12436052 0.83 SRC (0.78) SRCAKT1ABL1RIPK2PRKD3
SCHEMBL1961578 0.83 SRC (0.74) SRCAKT1ABL1RIPK2PRKD3
SCHEMBL30175068 0.83 SRC (0.78) SRCAKT1ABL1RIPK2PRKD3
SCHEMBL30429079 0.83 SRC (0.78) SRCAKT1ABL1RIPK2PRKD3
SCHEMBL13019709 0.82 SRC (0.73) SRCAKT1ABL1RIPK2PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544104-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases University of Washington Through its Center for Co (US) 2020-01-28 US disclosed
US-20180022709-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-01-25 US disclosed
US-20180022709-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-01-25 US disclosed
US-9765037-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2017-09-19 US disclosed
US-9765037-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2017-09-19 US disclosed
US-20130018040-A1 Compositions And Methods For Treating Toxoplasmosis, Cryptosporidiosis, And Other Apicomplexan Protozoan Related Diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2013-01-17 US disclosed
US-20130018040-A1 Compositions And Methods For Treating Toxoplasmosis, Cryptosporidiosis, And Other Apicomplexan Protozoan Related Diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2013-01-17 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
WO-2007126841-A2 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRX PHARMACEUTICALS, INC. (US) 2007-11-08 WO 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 (6 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-20130018040-A1 Compositions And Methods For Treating Toxoplasmosis, Cryptosporidiosis, And Other Apicomplexan Protozoan Related Diseases PNCK, TXK, CILK1 SRC 132/4885AKT1 402/4885ABL1 1181/4885
US-10544104-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases PNCK, TXK, CILK1 SRC 132/4885AKT1 402/4885ABL1 1181/4885
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY SNCA, PARK7, PINK1 SRC 3123/4885AKT1 1576/4885ABL1 2641/4885
US-20180022709-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases PNCK, TXK, CILK1 SRC 132/4885AKT1 402/4885ABL1 1181/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B SRC 1332/4885AKT1 968/4885ABL1 1725/4885
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.