SCHEMBL179533

SCHEMBL179533

CC(C)(C)c1ccc2nc(N)ncc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.52
KIT P10721 6/20 0.52
SRC P12931 6/20 0.52
KDR P35968 4/20 0.52
JAK3 P52333 1/20 0.49
MAPK14 Q16539 1/20 0.49
CSNK1D P48730 1/20 0.44
CSNK1E P49674 1/20 0.44
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
SCN10A Q9Y5Y9 2/20 0.41
KCNH2 Q12809 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HRH4 Q9H3N8 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL22521626 0.86 CSNK1D (0.44) LCKKITSRCKDRJAK3
SCHEMBL5683013 0.82 BACE1 (0.59) LCKKITSRCKDRJAK3
SCHEMBL30955921 0.82 BACE1 (0.59) LCKKITSRCKDRJAK3
SCHEMBL4548606 0.80 SCN10A (0.39) LCKKITSRCKDRSCN10A
SCHEMBL18177013 0.80 SCN10A (0.39) LCKKITSRCKDRJAK3
SCHEMBL19104136 0.79 ALDH1A1 (0.42) LCKKITSRCKDRSCN10A
SCHEMBL25449364 0.76 LCK (0.41) LCKKDRJAK3MAPK14SCN10A
SCHEMBL20047540 0.76 SCN10A (0.38) LCKKITSRCKDRSCN10A
SCHEMBL14044797 0.76 SCN10A (0.37) LCKKITSRCKDRSCN10A
SCHEMBL2632884 0.76 LCK (0.57) LCKKITSRCKDRJAK3

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 73 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-20220048922-A1 COMPOUNDS TARGETING PRMT5 ALIGOS THERAPEUTICS, INC. 2022-02-17 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-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
US-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
US-7989461-B2 Substituted quinazolinamine compounds for the treatment of cancer AMGEN INC. (US) 2011-08-02 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-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 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 (13 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-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE BRAF, RAF1, NRAS LCK 386/4885KIT 438/4885SRC 411/4885
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 LCK 392/4885KIT 468/4885SRC 354/4885
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB LCK 380/4885KIT 1203/4885SRC 155/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA LCK 289/4885KIT 1059/4885SRC 202/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD LCK 321/4885KIT 1370/4885SRC 139/4885
US-11198699-B2 Compounds targeting PRMT5 PRMT5, PRMT1, PRMT6 LCK 286/4885KIT 1413/4885SRC 429/4885
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS EIF2AK4, GPR119, GCN1 LCK 4271/4885KIT 4634/4885SRC 3600/4885
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 LCK 169/4885KIT 676/4885SRC 167/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A LCK 318/4885KIT 2707/4885SRC 188/4885
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB LCK 407/4885KIT 650/4885SRC 227/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB LCK 305/4885KIT 588/4885SRC 146/4885
US-20220048922-A1 COMPOUNDS TARGETING PRMT5 PRMT5, PRMT1, PRMT6 LCK 286/4885KIT 1413/4885SRC 429/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A LCK 551/4885KIT 1392/4885SRC 248/4885

“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.