SCHEMBL179520

SCHEMBL179520

CC(C)(C)c1ccc2nc(N)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.68
NCK1 P16333 1/20 0.58
PLAU P00749 1/20 0.57
NCF1 P14598 6/20 0.53
CTSD P07339 1/20 0.46
NOS2 P35228 1/20 0.45
KCNH2 Q12809 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44

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
SCHEMBL22521368 0.86 BACE1 (0.52) BACE1NCK1PLAUNCF1NOS2
SCHEMBL12025091 0.81 BACE1 (0.44) BACE1NCK1PLAUKCNH2SCN10A
SCHEMBL5683005 0.81 BACE1 (1.00) BACE1NCK1PLAUNCF1NOS2
SCHEMBL2704185 0.78 KCNH2 (0.42) BACE1NCK1KCNH2SCN10A
SCHEMBL10182842 0.78 CYP1A2 (0.59) BACE1NCK1KCNH2SCN10A
SCHEMBL12755251 0.77 ALDH1A1 (0.45) BACE1KCNH2SCN10A
SCHEMBL22521523 0.76 NCF1 (0.50) BACE1NCF1KCNH2SCN10A
SCHEMBL24506866 0.74 BACE1 (0.42) BACE1NCK1PLAUNCF1CTSD
SCHEMBL22521439 0.74 SCN10A (0.41) BACE1KCNH2SCN10A
SCHEMBL21849174 0.74 BACE1 (0.50) BACE1KCNH2SCN10A

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2023-05-11 US disclosed
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2023-05-11 US disclosed
US-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 US disclosed
US-11198699-B2 Compounds targeting PRMT5 ALIGOS THERAPEUTICS, INC. (US) 2021-12-14 US disclosed
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2021-03-04 US disclosed
US-20200317686-A1 COMPOUNDS TARGETING PRMT5 ALIGOS THERAPEUTICS, INC. 2020-10-08 US disclosed
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 US disclosed
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-20100009963-A1 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-14 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
US-7585868-B2 Substituted pyrazolo[3,4-D]pyrimidines as kinase antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-09-08 US disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 US disclosed
EP-1620413-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-02-01 EP disclosed
WO-2004098494-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-11-18 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 (12 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-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA BACE1 4507/4885NCK1 190/4885PLAU 4093/4885
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB BACE1 1523/4885NCK1 51/4885PLAU 1554/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD BACE1 1052/4885NCK1 90/4885PLAU 1442/4885
US-11198699-B2 Compounds targeting PRMT5 PRMT5, PRMT1, PRMT6 BACE1 2330/4885NCK1 2246/4885PLAU 3140/4885
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS EIF2AK4, GPR119, GCN1 BACE1 4154/4885NCK1 1666/4885PLAU 4730/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 BACE1 4731/4885NCK1 96/4885PLAU 3929/4885
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 BACE1 4071/4885NCK1 91/4885PLAU 3067/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A BACE1 1113/4885NCK1 62/4885PLAU 2325/4885
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB BACE1 4254/4885NCK1 193/4885PLAU 3668/4885
US-20200317686-A1 COMPOUNDS TARGETING PRMT5 PRMT5, PRMT1, PRMT6 BACE1 2330/4885NCK1 2246/4885PLAU 3140/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB BACE1 4691/4885NCK1 145/4885PLAU 3495/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A BACE1 1070/4885NCK1 78/4885PLAU 2275/4885

“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.