SCHEMBL179602

SCHEMBL179602

COc1ncnc(N)c1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDPK1 O15530 1/20 0.38
PDE5A O76074 1/20 0.38
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
MAP4K4 O95819 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ESR1 P03372 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
RET P07949 1/20 0.33

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
SCHEMBL6796490 0.83 PDPK1 (0.45) PDPK1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL11475921 0.79 PDPK1 (0.39) PDPK1PDE5ANOS3NOS2LMNA
SCHEMBL6233405 0.77 PDE5A (0.46) PDPK1PDE5ALMNAMAPTMAP4K4
SCHEMBL7519562 0.77
SCHEMBL12051534 0.76 PDPK1 (0.41) PDPK1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL38661744 0.76 PDPK1 (0.37) PDPK1PDE5ANOS3NOS2ALDH1A1
SCHEMBL15334043 0.76 PDPK1 (0.37) PDPK1PDE5ALMNAMAPTMAP4K4
SCHEMBL2900733 0.75 PDPK1 (0.43) PDPK1PDE5ANOS3NOS2ALDH1A1
SCHEMBL23717803 0.73 PDPK1 (0.38) PDPK1ALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL16399428 0.73 PDPK1 (0.38) PDPK1ALDH1A1MAPTSMN1; SMN2HSD17B10

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-20250270198-A1 PYRIDONE COMPOUNDS AS TRPA1 INHIBITORS D. E. SHAW RESEARCH, LLC 2025-08-28 US disclosed
EP-4519250-A1 PYRIDONE COMPOUNDS AS TRPA1 INHIBITORS D.E. Shaw Research, LLC (US) 2025-03-12 EP disclosed
CN-119451948-A Pyridone compounds as TRPA1 inhibitors D·E·萧尔研究有限责任公司 2025-02-14 CN disclosed
WO-2023215775-A1 PYRIDONE COMPOUNDS AS TRPA1 INHIBITORS D. E. SHAW RESEARCH, LLC (US) 2023-11-09 WO disclosed
WO-2023215775-A1 PYRIDONE COMPOUNDS AS TRPA1 INHIBITORS D. E. SHAW RESEARCH, LLC (US) 2023-11-09 WO disclosed
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
US-20160016957-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2016-01-21 US disclosed
US-9181221-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20100210667-A1 IMIDAZO [1, 2-C] PYRIMIDIN-2-YLMETHYLPIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS ALVARO GIUSEPPE 2010-08-19 US disclosed
US-20100210667-A1 IMIDAZO [1, 2-C] PYRIMIDIN-2-YLMETHYLPIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS ALVARO GIUSEPPE 2010-08-19 US disclosed
US-20100210667-A1 IMIDAZO [1, 2-C] PYRIMIDIN-2-YLMETHYLPIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS ALVARO GIUSEPPE 2010-08-19 US disclosed
EP-2176265-A1 IMIDAZO [1, 2-C]PYRIMIDIN-2-YLMETHYLPIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2010-04-21 EP disclosed
WO-2009003997-A1 IMIDAZO [1, 2-C] PYRIMIDIN-2-YLMETHYLPIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-01-08 WO disclosed
WO-2009003997-A1 IMIDAZO [1, 2-C] PYRIMIDIN-2-YLMETHYLPIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-01-08 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 (5 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-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA LIMK1 470/4885L3MBTL1 2853/4885PDPK1 22/4885
US-20140088099-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA LIMK1 470/4885L3MBTL1 2853/4885PDPK1 22/4885
US-20100210667-A1 IMIDAZO [1, 2-C] PYRIMIDIN-2-YLMETHYLPIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY2R LIMK1 4636/4885L3MBTL1 4464/4885PDPK1 1083/4885
US-20160016957-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA LIMK1 470/4885L3MBTL1 2853/4885PDPK1 22/4885
US-20250270198-A1 PYRIDONE COMPOUNDS AS TRPA1 INHIBITORS TRPA1, TRPV1, TRPV6 LIMK1 1393/4885L3MBTL1 3737/4885PDPK1 1249/4885

“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.