SCHEMBL24137909

SCHEMBL24137909

Clc1ccccc1CNc1cncc(-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
▸ ROCK2 O75116 7/20 0.53
▸ GSK3B P49841 3/20 0.53
▸ AURKB Q96GD4 3/20 0.53
▸ PIM1 P11309 2/20 0.53
▸ TRPA1 O75762 2/20 0.52
▸ CLK2 P49760 2/20 0.48
▸ CLK4 Q9HAZ1 2/20 0.48
▸ CLK1 P49759 2/20 0.48
▸ DYRK1A Q13627 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
▸ ROCK1 Q13464 5/20 0.48
▸ CCR2 P41597 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL25936162 0.87 CCNC (0.54) CCNCCDK8ROCK2GSK3BAURKB
SCHEMBL24137732 0.87 CCNC (0.54) CCNCCDK8ROCK2GSK3BAURKB
SCHEMBL24137563 0.84 CCNC (0.61) CCNCCDK8ROCK2GSK3BAURKB
SCHEMBL13122304 0.83 ROCK2 (0.61) ROCK2GSK3BAURKBPIM1TRPA1
SCHEMBL24137727 0.81 JAK2 (0.52) ROCK2AURKBCLK2CLK4DYRK1A
SCHEMBL22191473 0.80 GAA (0.53) DYRK1AMEN1KMT2A
SCHEMBL24137567 0.77 DYRK1A (0.56) CCNCCDK8ROCK2GSK3BAURKB
SCHEMBL13122184 0.76 CLK2 (0.68) ROCK2CLK2CLK4ROCK1CCR2
SCHEMBL24137790 0.76 CCNC (0.63) CCNCCDK8ROCK2GSK3BAURKB
SCHEMBL25933932 0.75 DYRK1A (0.50) CCNCCDK8ROCK2GSK3BAURKB

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 2 patents. 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
WO-2021263129-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-12-30 — — WO 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 202/4885ROCK2 436/4885

“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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