SCHEMBL24935467

SCHEMBL24935467

COc1nccc(OCC2(CNC(=O)OC(C)(C)C)CC2)c1-c1cc(N)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.47
KCNH2 Q12809 5/20 0.47
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
HSD17B10 Q99714 2/20 0.33
GFER P55789 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
DRD2 P14416 2/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
PBK Q96KB5 1/20 0.30

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
SCHEMBL24936259 0.93 KCNH2 (0.50) CHEK1KCNH2ACACBACACAHSD17B10
SCHEMBL24936204 0.87 CHEK1 (0.45) CHEK1KCNH2HSD17B10GFERL3MBTL1
SCHEMBL24936198 0.84 CHEK1 (0.47) CHEK1KCNH2
SCHEMBL24936150 0.83 KCNH2 (0.57) CHEK1KCNH2DRD2
SCHEMBL24936172 0.82 CHEK1 (0.72) CHEK1KCNH2
SCHEMBL24936297 0.81 CHEK1 (0.42) CHEK1KCNH2HSD17B10CCNT1CDK9
SCHEMBL31188683 0.80 KCNH2 (0.35) CHEK1KCNH2ACACBACACAL3MBTL1
SCHEMBL24936157 0.79 CHEK1 (0.45) CHEK1KCNH2HSD17B10CCNT1CDK9
SCHEMBL24936205 0.79 CHEK1 (0.44) CHEK1KCNH2HSD17B10CCNT1CDK9
SCHEMBL24936161 0.78 KCNH2 (0.66) CHEK1KCNH2DRD2

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-11564920-B2 5-heteroaryl-1H-pyrazol-3-amine derivative Sumitomo Pharma Co., Ltd. (JP) 2023-01-31 US disclosed
US-20230025065-A1 5-HETEROARYL-1H-PYRAZOL-3-AMINE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2023-01-26 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-11564920-B2 5-heteroaryl-1H-pyrazol-3-amine derivative CHEK1, CHEK2, RB1 CHEK1 1/4885KCNH2 2700/4885ACACB 3588/4885
US-20230025065-A1 5-HETEROARYL-1H-PYRAZOL-3-AMINE DERIVATIVE CHEK1, CHEK2, RB1 CHEK1 1/4885KCNH2 2700/4885ACACB 3588/4885

“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.