SCHEMBL25936076

SCHEMBL25936076

Cc1ccccc1CNc1cncc(-c2ccc3[nH]nc(N)c3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.48
▸ CDK7 P50613 8/20 0.47
▸ AKT1 P31749 3/20 0.45
▸ CDK2 P24941 9/20 0.44
▸ TYK2 P29597 4/20 0.44
▸ JAK3 P52333 4/20 0.44
▸ PLK4 O00444 3/20 0.44
▸ DAPK3 O43293 3/20 0.44
▸ DYRK3 O43781 3/20 0.44
▸ ROCK2 O75116 3/20 0.44
▸ MAP4K4 O95819 3/20 0.44
▸ CDK1 P06493 3/20 0.44
▸ MARK3 P27448 3/20 0.44
▸ CLK2 P49760 3/20 0.44
▸ CDK5 Q00535 3/20 0.44
▸ PRKCD Q05655 3/20 0.44
▸ ROCK1 Q13464 3/20 0.44
▸ DYRK1A Q13627 3/20 0.44
▸ PKN2 Q16513 3/20 0.44
▸ MARK2 Q7KZI7 3/20 0.44

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
SCHEMBL24137846 0.87 CDK7 (0.52) JAK2CDK7AKT1CDK2TYK2
SCHEMBL24137727 0.87 JAK2 (0.52) JAK2CDK7AKT1CDK2TYK2
SCHEMBL24137560 0.85 CDK2 (0.57) JAK2CDK7AKT1CDK2JAK3
SCHEMBL25936162 0.81 CCNC (0.54) CDK2DYRK3ROCK2CLK2CDK5
SCHEMBL25936215 0.79 JAK2 (0.50) JAK2CDK7AKT1CDK2TYK2
SCHEMBL24137915 0.79 JAK2 (0.57) JAK2CDK7AKT1CDK2TYK2
SCHEMBL25938176 0.78 CDK7 (0.45) JAK2CDK7AKT1CDK2TYK2
SCHEMBL21318857 0.78 JAK2 (0.56) JAK2AKT1CDK2TYK2JAK3
SCHEMBL24137841 0.77 JAK2 (0.61) JAK2CDK7AKT1CDK2TYK2
SCHEMBL24137786 0.77 JAK2 (0.57) JAK2CDK7AKT1CDK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-07-27 — — 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 (1 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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE PACSIN2, MAP3K20, PHKG1 JAK2 228/4885CDK7 210/4885AKT1 108/4885

“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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