SCHEMBL22110566

SCHEMBL22110566

CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ncc3cc(N)ccc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ TSHR P16473 2/20 0.54
▸ RECQL P46063 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ DTYMK P23919 2/20 0.45
▸ NR1H2 P55055 1/20 0.45
▸ GPR119 Q8TDV5 2/20 0.43
▸ F2 P00734 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ LIMK1 P53667 1/20 0.43
▸ IKBKE Q14164 1/20 0.43

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
SCHEMBL20676094 0.85 POLB (0.47) POLBHSD17B10TSHRRECQLL3MBTL1
SCHEMBL19127885 0.83 GPR119 (0.48) NR1H2GPR119CHEK1AURKADAPK3
SCHEMBL19145463 0.83 POLB (0.50) POLBHSD17B10TSHRRECQLL3MBTL1
SCHEMBL19126462 0.82 POLB (0.49) POLBHSD17B10TSHRRECQLL3MBTL1
SCHEMBL19127488 0.78 POLB (0.45) POLBHSD17B10TSHRRECQLL3MBTL1
SCHEMBL12459057 0.77 GPR119 (0.68) L3MBTL1NR1H2GPR119CHEK1AURKA
SCHEMBL13024644 0.77 MAPT (0.58) POLBTSHR
SCHEMBL625971 0.75 TAOK1 (0.65) NR1H2GPR119CHEK1AURKADAPK3
SCHEMBL655559 0.73 CHEK1 (0.54) HSD17B10CHEK1AURKADAPK3CSNK1A1
SCHEMBL20676213 0.72 POLB (0.45) POLBHSD17B10TSHRRECQLL3MBTL1

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-11174241-B2 Quinolin-2-one derivatives MERCK PATENT GMBH (DE) 2021-11-16 — — US disclosed
US-20200190055-A1 QUINOLIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-18 — — 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 (2 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-11174241-B2 Quinolin-2-one derivatives KIT, CDK2, CDK1 POLB 3061/4885HSD17B10 4699/4885TSHR 3543/4885
US-20200190055-A1 QUINOLIN-2-ONE DERIVATIVES KIT, CDK2, CDK1 POLB 3061/4885HSD17B10 4699/4885TSHR 3543/4885

“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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