SCHEMBL24936172

SCHEMBL24936172

COc1nccc(OCC2(CNC(=O)OC(C)(C)C)CC2)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.72
KCNH2 Q12809 13/20 0.71
NUAK1 O60285 1/20 0.48
CHEK2 O96017 1/20 0.48
RPS6KB1 P23443 1/20 0.48
FLT3 P36888 1/20 0.48
BLK P51451 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48

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
SCHEMBL24936282 0.95 KCNH2 (0.77) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL24936253 0.90 CHEK1 (0.71) CHEK1KCNH2
SCHEMBL24936164 0.88 CHEK1 (0.71) CHEK1KCNH2
SCHEMBL24936314 0.88 KCNH2 (0.89) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL24936316 0.85 CHEK1 (0.67) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL24936223 0.84 CHEK1 (1.00) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL29632305 0.84 CHEK1 (1.00) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL24936317 0.83 CHEK1 (0.72) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL24936247 0.83 CHEK1 (0.73) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL24936162 0.83 KCNH2 (1.00) CHEK1KCNH2NUAK1CHEK2RPS6KB1

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 2700/4885NUAK1 124/4885
US-20230025065-A1 5-HETEROARYL-1H-PYRAZOL-3-AMINE DERIVATIVE CHEK1, CHEK2, RB1 CHEK1 1/4885KCNH2 2700/4885NUAK1 124/4885

“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.