SCHEMBL25933938

SCHEMBL25933938

C=N/C=C(\C=C(/C)c1ccc2[nH]nc(N)c2c1)Nc1cccc(-c2ccc(F)c(CNc3cncc(-c4ccc5[nH]nc(N)c5c4)c3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 13/20 0.40
▸ DYRK1A Q13627 6/20 0.36
▸ CLK2 P49760 5/20 0.36
▸ CLK3 P49761 5/20 0.36
▸ WNT1 P04628 3/20 0.36
▸ CDK2 P24941 10/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CDK3 Q00526 1/20 0.35
▸ CDK6 Q00534 1/20 0.35

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
SCHEMBL25938176 0.79 CDK7 (0.45) CDK7DYRK1ACLK2CLK3WNT1
SCHEMBL25936054 0.75 JAK2 (0.38) —
SCHEMBL24137846 0.74 CDK7 (0.52) CDK7DYRK1ACLK2CLK3CDK2
SCHEMBL25936076 0.69 JAK2 (0.48) CDK7DYRK1ACLK2CDK2CDK1
SCHEMBL25936083 0.68 MAPK1 (0.46) —
SCHEMBL24137560 0.67 CDK2 (0.57) CDK7DYRK1AWNT1CDK2CDK1
SCHEMBL24137727 0.67 JAK2 (0.52) CDK7DYRK1ACLK2CDK2CDK1
SCHEMBL25936215 0.66 JAK2 (0.50) CDK7DYRK1ACLK2WNT1CDK2
SCHEMBL25936105 0.65 MAPK1 (0.43) —
SCHEMBL22382964 0.64 CDK7 (0.43) CDK7DYRK1ACLK2CLK3WNT1

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 210/4885DYRK1A 495/4885CLK2 54/4885

“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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