SCHEMBL25936342

SCHEMBL25936342

BC1=C(CNc2ncc(-c3ccc4c(NC)n[nH]c4c3)cn2)C=CCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 16/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ CDK19 Q9BWU1 1/20 0.34
▸ MAP2K4 P45985 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ PDPK1 O15530 1/20 0.32
▸ GSK3A P49840 1/20 0.32

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
SCHEMBL25936276 0.89 GSK3B (0.37) GSK3BFGFR1CCNCCDK8CDK19
SCHEMBL25936322 0.76 MAP2K4 (0.47) GSK3BFGFR1MAP2K4CYP1A2PDPK1
SCHEMBL21656763 0.69 GSK3B (0.44) GSK3BCCNCCDK8CDK19PDPK1
SCHEMBL25934856 0.68 JAK2 (0.44) PDPK1
SCHEMBL12292284 0.63 DYRK1A (0.42) GSK3BMAP2K4
SCHEMBL25933239 0.63 ABL1 (0.54) PDPK1
SCHEMBL24137787 0.62 JAK2 (0.61) GSK3BFGFR1PDPK1GSK3A
SCHEMBL25935993 0.61 JAK2 (0.46) PDPK1
SCHEMBL24137844 0.61 MKNK1 (0.58) CYP1A2PDPK1
SCHEMBL24137502 0.61 JAK2 (0.48) PDPK1

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 GSK3B 267/4885FGFR1 600/4885CCNC 571/4885

“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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