SCHEMBL25935940

SCHEMBL25935940

C/C=C\C(=C/C)NCc1cncc(-c2ccc3[nH]nc(N)c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.46
▸ DYRK1A Q13627 17/20 0.45
▸ WNT1 P04628 8/20 0.44
▸ JAK2 O60674 2/20 0.44
▸ CLK2 P49760 5/20 0.43
▸ CLK3 P49761 5/20 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
SCHEMBL24137915 0.77 JAK2 (0.57) GSK3BDYRK1AWNT1JAK2CLK2
SCHEMBL25934785 0.76 CDK7 (0.44) DYRK1AJAK2CLK2CLK3
SCHEMBL24137792 0.75 JAK2 (0.50) DYRK1AWNT1JAK2CLK2CLK3
SCHEMBL25935962 0.74 ABL1 (0.45) GSK3BJAK2
SCHEMBL21318857 0.70 JAK2 (0.56) DYRK1AWNT1JAK2CLK2CLK3
SCHEMBL24137560 0.70 CDK2 (0.57) GSK3BDYRK1AWNT1JAK2
SCHEMBL15883302 0.69 DYRK1A (0.54) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL21318652 0.69 JAK2 (0.54) DYRK1AWNT1JAK2CLK2
SCHEMBL10213929 0.68 JAK2 (0.81) DYRK1AJAK2CLK2
SCHEMBL25936215 0.68 JAK2 (0.50) DYRK1AWNT1JAK2CLK2

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 GSK3B 267/4885DYRK1A 495/4885WNT1 3426/4885

“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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