SCHEMBL21362965

SCHEMBL21362965

CC(C)c1ncnc2ccn(C)c12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.40
EIF4E P06730 3/20 0.40
MKNK1 Q9BUB5 3/20 0.40
MKNK2 Q9HBH9 3/20 0.40
KDR P35968 13/20 0.39
BRAF P15056 1/20 0.34
TNNI3K Q59H18 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
ERBB3 P21860 1/20 0.33
ERBB4 Q15303 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
SCHEMBL13856330 0.75 IRAK4 (0.43) IRAK4EIF4EMKNK1MKNK2KDR
SCHEMBL30051491 0.73 KDR (0.44) IRAK4MKNK1MKNK2KDREGFR
SCHEMBL27684236 0.73 IRAK4 (0.42) IRAK4EIF4EMKNK1MKNK2KDR
SCHEMBL130754 0.73 KDR (0.44) IRAK4MKNK1MKNK2KDREGFR
SCHEMBL4287549 0.73 KDR (0.43) IRAK4EIF4EMKNK1MKNK2KDR
SCHEMBL23135905 0.73 IRAK4 (0.42) IRAK4EIF4EMKNK1MKNK2KDR
SCHEMBL24392254 0.73 PIP4K2C (0.33)
SCHEMBL18069723 0.73 PIP4K2C (0.33)
Hydrochloric Acid SCHEMBL27684235 0.72 IRAK4 (0.41) IRAK4EIF4EMKNK1MKNK2KDR
SCHEMBL21362870 0.70 PI4KA (0.33) LPAR1LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 US disclosed
WO-2022007966-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川海思科制药有限公司 2022-01-13 WO disclosed
US-20210023234-A1 ECTONUCLEOTIDE PYROPHOSPHATE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC (US) 2021-01-28 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
US-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC. 2019-09-19 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 (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-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, ENPEP IRAK4 4788/4885EIF4E 3903/4885MKNK1 2211/4885
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 IRAK4 851/4885EIF4E 1434/4885MKNK1 2065/4885
US-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, ENPP2 IRAK4 3547/4885EIF4E 3897/4885MKNK1 1789/4885
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS ITGA5, ITGAL, ITGB5 IRAK4 1543/4885EIF4E 2258/4885MKNK1 3618/4885
US-20210023234-A1 ECTONUCLEOTIDE PYROPHOSPHATE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, PNKP IRAK4 4749/4885EIF4E 3371/4885MKNK1 2265/4885

“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.