SCHEMBL26445803

SCHEMBL26445803

CC1(C)Cc2cc(Nc3ccc4c(n3)C(=O)CCC4)ccc2NC1=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.39
POLA1 P09884 1/20 0.35
TNIK Q9UKE5 1/20 0.34
PKM P14618 1/20 0.33
PTK2B Q14289 1/20 0.33
CRBN Q96SW2 1/20 0.32
ADRA2A P08913 1/20 0.32
BAZ2B Q9UIF8 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
SCHEMBL23675005 0.84 MAP4K1 (0.42) KIF11TNIKCRBNBAZ2B
SCHEMBL30100814 0.79 KIF11 (0.35) KIF11TNIKPKMPTK2BCRBN
SCHEMBL26088442 0.79 KIF11 (0.35) KIF11TNIKPKMPTK2BCRBN
SCHEMBL30100682 0.78 BCL6 (0.38) KIF11TNIKPKMCRBN
SCHEMBL23674636 0.78 BCL6 (0.38) KIF11TNIKPKMCRBN
SCHEMBL26086897 0.77 RHOA (0.40) KIF11TNIKCRBN
SCHEMBL23674757 0.76 EGFR (0.41) KIF11TNIKCRBN
SCHEMBL30100704 0.75 KIF11 (0.35) KIF11TNIKPTK2B
SCHEMBL26089499 0.75 KIF11 (0.35) KIF11TNIKPTK2B
SCHEMBL26089307 0.74 KIF11 (0.34) KIF11TNIKPTK2B

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-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 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-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 KIF11 3560/4885POLA1 1592/4885TNIK 2690/4885

“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.