SCHEMBL21596984

SCHEMBL21596984

CN(C)C1CCN(c2ccc(N)c(NC(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.43
SRC P12931 2/20 0.43
PTK6 Q13882 2/20 0.43
ABL1 P00519 1/20 0.43
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC3 O15379 1/20 0.41
LGMN Q99538 2/20 0.41
LCK P06239 1/20 0.41
LYN P07948 1/20 0.41
HCK P08631 1/20 0.41
FRK P42685 1/20 0.41
BLK P51451 1/20 0.41
GPR119 Q8TDV5 6/20 0.40
AAK1 Q2M2I8 4/20 0.39
STAT3 P40763 1/20 0.37
EGFR P00533 1/20 0.37
ALK Q9UM73 1/20 0.37

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
SCHEMBL30044654 1.00 FYN (0.43) FYNSRCPTK6ABL1HDAC1
SCHEMBL21600817 0.94 MCHR1 (0.43) FYNSRCPTK6ABL1HDAC1
SCHEMBL21600805 0.94 MCHR1 (0.43) FYNSRCPTK6ABL1HDAC1
SCHEMBL28546924 0.94 MCHR1 (0.43) FYNSRCPTK6ABL1HDAC1
SCHEMBL23606375 0.93 HDAC1 (0.41) FYNSRCPTK6ABL1HDAC1
SCHEMBL30044385 0.93 HDAC1 (0.41) FYNSRCPTK6ABL1HDAC1
SCHEMBL30044365 0.92 HDAC1 (0.40) FYNSRCPTK6ABL1HDAC1
SCHEMBL23606376 0.92 HDAC1 (0.40) FYNSRCPTK6ABL1HDAC1
SCHEMBL25139841 0.88 HDAC1 (0.40) FYNSRCPTK6ABL1HDAC1
SCHEMBL25139870 0.88 HDAC1 (0.40) FYNSRCPTK6ABL1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230125046-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2023-04-20 US disclosed
WO-2021129561-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2021-07-01 WO disclosed
WO-2021129561-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2021-07-01 WO disclosed
WO-2019242689-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2019-12-26 WO disclosed
WO-2019242689-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF 北京赛特明强医药科技有限公司 2019-12-26 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 (1 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-20230125046-A1 CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF FGFR4, FGFR1, WEE1 FYN 188/4885SRC 131/4885PTK6 438/4885

“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.