SCHEMBL25934785

SCHEMBL25934785

C/C=C\C(=C/C)CNc1cncc(-c2ccc3[nH]nc(N)c3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 8/20 0.44
▸ JAK2 O60674 8/20 0.43
▸ CDK2 P24941 8/20 0.43
▸ DYRK1A Q13627 6/20 0.43
▸ CLK2 P49760 4/20 0.43
▸ PLK4 O00444 3/20 0.43
▸ DAPK3 O43293 3/20 0.43
▸ DYRK3 O43781 3/20 0.43
▸ ROCK2 O75116 3/20 0.43
▸ MAP4K4 O95819 3/20 0.43
▸ CDK1 P06493 3/20 0.43
▸ MARK3 P27448 3/20 0.43
▸ TYK2 P29597 3/20 0.43
▸ JAK3 P52333 3/20 0.43
▸ CDK5 Q00535 3/20 0.43
▸ PRKCD Q05655 3/20 0.43
▸ ROCK1 Q13464 3/20 0.43
▸ PKN2 Q16513 3/20 0.43
▸ MARK2 Q7KZI7 3/20 0.43
▸ AURKB Q96GD4 3/20 0.43

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
SCHEMBL25934892 0.81 CDK8 (0.51) CDK7JAK2CDK2DYRK1ACLK2
SCHEMBL21318857 0.77 JAK2 (0.56) JAK2CDK2DYRK1ACLK2PLK4
SCHEMBL25935020 0.76 CA12 (0.38) CDK7CDK2DYRK1ACLK2CDK5
SCHEMBL25935940 0.76 GSK3B (0.46) JAK2DYRK1ACLK2CLK3
SCHEMBL24137560 0.76 CDK2 (0.57) CDK7JAK2CDK2DYRK1ADAPK3
SCHEMBL25936215 0.74 JAK2 (0.50) CDK7JAK2CDK2DYRK1ACLK2
SCHEMBL25936076 0.74 JAK2 (0.48) CDK7JAK2CDK2DYRK1ACLK2
SCHEMBL24137841 0.72 JAK2 (0.61) CDK7JAK2CDK2DYRK1ACLK2
SCHEMBL24137846 0.72 CDK7 (0.52) CDK7JAK2CDK2DYRK1ACLK2
SCHEMBL24137727 0.72 JAK2 (0.52) CDK7JAK2CDK2DYRK1ACLK2

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 CDK7 210/4885JAK2 228/4885CDK2 68/4885

“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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