SCHEMBL23327322

SCHEMBL23327322

COc1cc(C)cc(OCC2(CNC(=O)O)CC2)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.64
KCNH2 Q12809 12/20 0.64
NUAK1 O60285 1/20 0.53
CHEK2 O96017 1/20 0.53
RPS6KB1 P23443 1/20 0.53
FLT3 P36888 1/20 0.53
BLK P51451 1/20 0.53
PRKAG1 P54619 1/20 0.53
PRKAA1 Q13131 1/20 0.53
PRKAB1 Q9Y478 1/20 0.53

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
SCHEMBL23327319 0.94 CHEK1 (0.63) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL23327438 0.94 CHEK1 (0.63) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL23327326 0.94 CHEK1 (0.62) CHEK1KCNH2
SCHEMBL23327301 0.94 CHEK1 (0.62) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL23327135 0.90 CHEK1 (0.68) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL19208018 0.88 CHEK1 (0.82) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL23327327 0.86 CHEK1 (0.66) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL23327357 0.83 CHEK1 (0.68) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL23327379 0.83 CHEK1 (0.68) CHEK1KCNH2NUAK1CHEK2RPS6KB1
SCHEMBL23327150 0.83 CHEK1 (0.67) CHEK1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3411036-B1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS PHARMAENGINE INC (TW) 2021-12-29 EP disclosed
US-11116767-B2 3,5-disubstituted pyrazoles useful as checkpoint kinase 1 (Chk1) inhibitors, and their preparations and applications PHARMAENGINE, INC. (TW) 2021-09-14 US disclosed
US-20210137918-A1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS PHARMAENGINE, INC. (TW) 2021-05-13 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-20210137918-A1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS CHEK1, CHEK2, BUB1 CHEK1 1/4885KCNH2 2305/4885NUAK1 137/4885
US-11116767-B2 3,5-disubstituted pyrazoles useful as checkpoint kinase 1 (Chk1) inhibitors, and their preparations and applications CHEK1, CHEK2, BUB1 CHEK1 1/4885KCNH2 2305/4885NUAK1 137/4885

“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.