SCHEMBL24936150

SCHEMBL24936150

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.57
CHEK1 O14757 3/20 0.43
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
ATM Q13315 3/20 0.40
ATR Q13535 3/20 0.39
ATRIP Q8WXE1 3/20 0.39
AXL P30530 2/20 0.39
DYRK1A Q13627 1/20 0.39
DRD2 P14416 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP3A43 Q9HB55 1/20 0.37

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
SCHEMBL24936161 0.93 KCNH2 (0.66) KCNH2CHEK1CA12CA1CA2
SCHEMBL30522667 0.93 KCNH2 (0.66) KCNH2CHEK1CA12CA1CA2
SCHEMBL19007838 0.87 KCNH2 (0.51) KCNH2CHEK1CA12CA1CA2
SCHEMBL24945515 0.86 KCNH2 (0.49) KCNH2CHEK1CA12CA1CA2
SCHEMBL24945078 0.83 KCNH2 (0.51) KCNH2CHEK1CA12CA1CA2
SCHEMBL30522689 0.83 KCNH2 (0.51) KCNH2CHEK1CA12CA1CA2
SCHEMBL24935467 0.83 CHEK1 (0.47) KCNH2CHEK1DRD2
SCHEMBL24936300 0.83 KCNH2 (0.49) KCNH2CHEK1CA12CA1CA2
SCHEMBL31188680 0.83 KDM4E (0.45) KCNH2CA12CA1CA2CA9
SCHEMBL31188679 0.83 KDM4E (0.45) KCNH2CA12CA1CA2CA9

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 KCNH2 2700/4885CHEK1 1/4885CA12 4344/4885
US-20230025065-A1 5-HETEROARYL-1H-PYRAZOL-3-AMINE DERIVATIVE CHEK1, CHEK2, RB1 KCNH2 2700/4885CHEK1 1/4885CA12 4344/4885

“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.