SCHEMBL25936162

SCHEMBL25936162

Cc1ccccc1CNc1cncc(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.54
▸ CDK8 P49336 1/20 0.54
▸ TRPA1 O75762 4/20 0.52
▸ CLK1 P49759 2/20 0.48
▸ CLK2 P49760 2/20 0.48
▸ GSK3B P49841 2/20 0.48
▸ DYRK1A Q13627 2/20 0.48
▸ CLK4 Q9HAZ1 2/20 0.48
▸ DYRK3 O43781 1/20 0.48
▸ CLK3 P49761 1/20 0.48
▸ CDK5 Q00535 1/20 0.48
▸ CDK5R1 Q15078 1/20 0.48
▸ DYRK2 Q92630 1/20 0.48
▸ DYRK1B Q9Y463 1/20 0.48
▸ TGFBR1 P36897 7/20 0.45
▸ MAPK14 Q16539 4/20 0.45
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CDK2 P24941 2/20 0.42

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
SCHEMBL24137909 0.87 CCNC (0.54) CCNCCDK8TRPA1CLK1CLK2
SCHEMBL24137732 0.87 CCNC (0.54) CCNCCDK8TRPA1CLK1CLK2
SCHEMBL24137563 0.84 CCNC (0.61) CCNCCDK8CLK1CLK2GSK3B
SCHEMBL25936076 0.81 JAK2 (0.48) CLK2DYRK1ACLK4DYRK3CDK5
SCHEMBL24137567 0.77 DYRK1A (0.56) CCNCCDK8TRPA1CLK1CLK2
SCHEMBL24137790 0.76 CCNC (0.63) CCNCCDK8TRPA1CLK1CLK2
SCHEMBL25933932 0.75 DYRK1A (0.50) CCNCCDK8CLK1CLK2GSK3B
SCHEMBL24137530 0.74 FGFR1 (0.56) CCNCCDK8CLK1CLK2GSK3B
SCHEMBL24137845 0.73 CCNC (0.71) CCNCCDK8TRPA1CLK1CLK2
SCHEMBL25934892 0.72 CDK8 (0.51) CCNCCDK8TRPA1CLK1CLK2

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 CCNC 571/4885CDK8 202/4885TRPA1 4013/4885

“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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