SCHEMBL23554288

SCHEMBL23554288

COC(=O)c1ccc2c(n1)N(C(=O)OC(C)(C)C)CCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.43
NR1H2 P55055 1/20 0.40
GRM5 P41594 1/20 0.39
EGFR P00533 1/20 0.38
BTK Q06187 1/20 0.38
FGFR4 P22455 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
CSNK2A2 P19784 1/20 0.37
USP30 Q70CQ3 2/20 0.37
SCD5 Q86SK9 1/20 0.36
MAPT P10636 3/20 0.34
TP53 P04637 2/20 0.34
THRB P10828 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
SETD7 Q8WTS6 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
SCHEMBL2492487 0.83 FGFR4 (0.40) CSNK2A1GRM5EGFRBTKFGFR4
SCHEMBL30007388 0.82 CSNK2A1 (0.38) CSNK2A1GRM5EGFRBTKFGFR4
SCHEMBL12405455 0.82 CSNK2A1 (0.40) CSNK2A1NR1H2GRM5EGFRBTK
SCHEMBL4928378 0.82 CSNK2A1 (0.38) CSNK2A1GRM5EGFRBTKFGFR4
SCHEMBL12405465 0.81 FGFR4 (0.41) CSNK2A1GRM5EGFRBTKFGFR4
SCHEMBL30918950 0.80 FGFR4 (0.55) CSNK2A1GRM5EGFRBTKFGFR4
SCHEMBL23530252 0.80 CSNK2A1 (0.37) CSNK2A1GRM5EGFRBTKFGFR4
SCHEMBL12405461 0.79 FGFR4 (0.41) CSNK2A1GRM5EGFRBTKFGFR4
SCHEMBL30918942 0.79 CSNK2A1 (0.37) CSNK2A1GRM5EGFRBTKFGFR4
SCHEMBL30895915 0.79 FGFR4 (0.44) CSNK2A1GRM5EGFRBTKFGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
WO-2021121294-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2021-06-24 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-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 CSNK2A1 2381/4885NR1H2 682/4885GRM5 2407/4885

“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.