SCHEMBL22909223

SCHEMBL22909223

CC(C)[S+]([O-])c1ccccc1Nc1nc(Nc2ccc(CN3CCN(C)CC3)cc2)ncc1Cl

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 13/20 0.68
▸ AURKB Q96GD4 2/20 0.63
▸ AURKA O14965 1/20 0.63
▸ ALK Q9UM73 3/20 0.62
▸ JAK2 O60674 1/20 0.62
▸ IGF1R P08069 1/20 0.62
▸ PTK2 Q05397 3/20 0.56
▸ CCNK O75909 2/20 0.54
▸ CCNA2 P20248 2/20 0.54
▸ CDK2 P24941 2/20 0.54
▸ CCND3 P30281 2/20 0.54
▸ CDK9 P50750 2/20 0.54
▸ CDK6 Q00534 2/20 0.54

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
SCHEMBL22872058 0.80 AXL (0.71) AXLAURKBAURKAALKJAK2
SCHEMBL21446898 0.80 AXL (0.69) AXLAURKBAURKAALKJAK2
SCHEMBL25550802 0.79 AXL (0.57) AXLAURKBAURKAALKJAK2
SCHEMBL24073135 0.79 AXL (0.70) AXLAURKBAURKAALKJAK2
SCHEMBL12964728 0.79 AXL (1.00) AXLAURKBAURKAALKJAK2
SCHEMBL21446892 0.78 AXL (0.80) AXLAURKBAURKAALKJAK2
SCHEMBL12964722 0.78 AXL (1.00) AXLAURKBAURKAALKJAK2
Dubermatinib SCHEMBL29394359 0.78 AXL (1.00) AXLAURKBAURKAALKJAK2
Dubermatinib SCHEMBL12813478 0.78 AXL (1.00) AXLAURKBAURKAALKJAK2
SCHEMBL12813313 0.78 AXL (1.00) AXLAURKBAURKAALKJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356185-A1 MERTK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-11-10 — — US disclosed
WO-2021011871-A1 MERTK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 — — 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-20220356185-A1 MERTK DEGRADERS AND USES THEREOF MERTK, ITK, CRKL AXL 55/4885AURKB 707/4885AURKA 305/4885

“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.

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