SCHEMBL4394529

SCHEMBL4394529

CC(C)(C)n1ccc2cnc(N)nc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.40
MAP3K14 Q99558 16/20 0.39
NUDT1 P36639 1/20 0.35
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
EGFR P00533 1/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34

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
SCHEMBL23685967 0.83 MAP3K14 (0.39) MAPKAPK2MAP3K14NUDT1
SCHEMBL24254188 0.80 MAPKAPK2 (0.30) MAPKAPK2MAP3K14
SCHEMBL12985132 0.79 KDM4E (0.32) SRC
SCHEMBL12440165 0.76 PIK3CB (0.46) MAPKAPK2MAP3K14EGFRFGFR1SRC
SCHEMBL26596995 0.74 NOS2 (0.33) PI4KAPI4K2BPI4K2API4KB
SCHEMBL26596996 0.74 PIK3CB (0.34) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL5021603 0.73 MKNK2 (0.42) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL1092845 0.72 MAPKAPK2 (0.43) MAPKAPK2MAP3K14EGFRFGFR1SRC
SCHEMBL22521392 0.71 DHFR (0.37) PI4KAPI4K2BPI4K2API4KB
SCHEMBL17066954 0.71 CDK1 (0.44) MAPKAPK2MAP3K14PI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20210230680-A1 Modified Nucleobases with Uniform H-Bonding Interactions, Homo- and Hetero-Basepair Bias, and Mismatch Discrimination CARNEGIE MELLON UNIVERSITY 2021-07-29 US disclosed
US-20200317686-A1 COMPOUNDS TARGETING PRMT5 ALIGOS THERAPEUTICS, INC. 2020-10-08 US disclosed
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA LEXICON PHARMACEUTICALS, INC. 2009-12-10 US disclosed
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. LEXICON PHARMACEUTICALS, INC. 2008-06-26 US disclosed
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. 2007-03-01 US disclosed
US-20060258691-A1 Methods and compositions for improving cognition LEXICON PHARMACEUTICALS, INC. 2006-11-16 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 (8 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-11198699-B2 Compounds targeting PRMT5 PRMT5, PRMT1, PRMT6 MAPKAPK2 449/4885MAP3K14 639/4885NUDT1 4174/4885
US-20210230680-A1 Modified Nucleobases with Uniform H-Bonding Interactions, Homo- and Hetero-Basepair Bias, and Mismatch Discrimination POLL, PNKP, POLM MAPKAPK2 4298/4885MAP3K14 4576/4885NUDT1 13/4885
US-20080153811-A1 methods for treating, managing and preventing cognitive impairment associated with various diseases and disorders, age-associated memory impairment, and dementia. CHAT, PSEN2, PSEN1 MAPKAPK2 1464/4885MAP3K14 3218/4885NUDT1 2850/4885
US-20090306100-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A MAPKAPK2 2190/4885MAP3K14 3841/4885NUDT1 2087/4885
US-20060258691-A1 Methods and compositions for improving cognition PSEN1, PSEN2, APP MAPKAPK2 2899/4885MAP3K14 3881/4885NUDT1 4458/4885
US-20200317686-A1 COMPOUNDS TARGETING PRMT5 PRMT5, PRMT1, PRMT6 MAPKAPK2 449/4885MAP3K14 639/4885NUDT1 4174/4885
US-20220048922-A1 COMPOUNDS TARGETING PRMT5 PRMT5, PRMT1, PRMT6 MAPKAPK2 449/4885MAP3K14 639/4885NUDT1 4174/4885
US-20070049608-A1 Pyrrolopyridine, pyrrolopyrimidine and pyrazolopyridine compounds, compositions comprising them, and methods of their use DPYD, TYMP, PNKP MAPKAPK2 721/4885MAP3K14 1254/4885NUDT1 110/4885

“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.