SCHEMBL24137732

SCHEMBL24137732

Fc1ccccc1CNc1cncc(-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
▸ TGFBR1 P36897 4/20 0.53
▸ CYP2D6 P10635 3/20 0.53
▸ CYP2C9 P11712 3/20 0.53
▸ CYP2C19 P33261 3/20 0.53
▸ GSK3B P49841 2/20 0.53
▸ ROCK2 O75116 2/20 0.53
▸ PAK4 O96013 1/20 0.53
▸ PIM1 P11309 1/20 0.53
▸ AURKB Q96GD4 1/20 0.53
▸ TRPA1 O75762 4/20 0.52
▸ CLK1 P49759 2/20 0.48
▸ DYRK3 O43781 1/20 0.48
▸ CLK2 P49760 1/20 0.48
▸ CLK3 P49761 1/20 0.48
▸ CDK5 Q00535 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ CDK5R1 Q15078 1/20 0.48
▸ DYRK2 Q92630 1/20 0.48

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) CCNCCDK8TGFBR1CYP2D6CYP2C9
SCHEMBL25936162 0.87 CCNC (0.54) CCNCCDK8TGFBR1CYP2D6CYP2C9
SCHEMBL24137563 0.84 CCNC (0.61) CCNCCDK8TGFBR1GSK3BROCK2
SCHEMBL24137846 0.81 CDK7 (0.52) GSK3BROCK2AURKBDYRK3CLK2
SCHEMBL22191402 0.80 GAA (0.67) CYP2C9CYP2C19DYRK1ACYP1A2GAA
SCHEMBL24137567 0.77 DYRK1A (0.56) CCNCCDK8TGFBR1GSK3BROCK2
SCHEMBL24137790 0.76 CCNC (0.63) CCNCCDK8GSK3BROCK2PIM1
SCHEMBL25933932 0.75 DYRK1A (0.50) CCNCCDK8TGFBR1CYP2D6CYP2C9
SCHEMBL22191401 0.75 GAA (0.46) DYRK1AMKNK1MKNK2GAAMAPT
SCHEMBL24137530 0.74 FGFR1 (0.56) CCNCCDK8GSK3BROCK2AURKB

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 202/4885TGFBR1 2605/4885

“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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