SCHEMBL25934892

SCHEMBL25934892

C/C=C\C(=C/C)CNc1cncc(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 2/20 0.51
▸ CCNC P24863 1/20 0.51
▸ CLK1 P49759 2/20 0.43
▸ FDPS P14324 1/20 0.43
▸ GSK3B P49841 7/20 0.41
▸ CDK5 Q00535 3/20 0.41
▸ CDK5R1 Q15078 2/20 0.41
▸ CLK2 P49760 2/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ DYRK1B Q9Y463 2/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ CLK3 P49761 1/20 0.41
▸ DYRK2 Q92630 1/20 0.41
▸ ROCK1 Q13464 7/20 0.40
▸ ROCK2 O75116 8/20 0.39
▸ PIM1 P11309 6/20 0.39
▸ AURKB Q96GD4 5/20 0.39
▸ FGFR1 P11362 2/20 0.38
▸ TRPA1 O75762 2/20 0.38

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
SCHEMBL25935020 0.82 CA12 (0.38) CDK8CCNCCDK5CDK5R1CLK2
SCHEMBL25934785 0.81 CDK7 (0.44) CDK5CLK2DYRK1ACLK4DYRK3
SCHEMBL24137563 0.74 CCNC (0.61) CDK8CCNCCLK1FDPSGSK3B
SCHEMBL25936162 0.72 CCNC (0.54) CDK8CCNCCLK1FDPSGSK3B
SCHEMBL25934096 0.72 CA12 (0.34) CDK8CCNCCLK2DYRK1ACLK3
SCHEMBL24137732 0.70 CCNC (0.54) CDK8CCNCCLK1FDPSGSK3B
SCHEMBL24137909 0.70 CCNC (0.54) CDK8CCNCCLK1GSK3BCDK5
SCHEMBL24137790 0.70 CCNC (0.63) CDK8CCNCCLK1GSK3BCDK5
SCHEMBL25933932 0.68 DYRK1A (0.50) CDK8CCNCCLK1FDPSGSK3B
SCHEMBL25935349 0.68 ITK (0.52) CLK4AURKBFGFR1KDRAURKA

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 CDK8 202/4885CCNC 571/4885CLK1 82/4885

“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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