SCHEMBL4965185

SCHEMBL4965185

COc1ncccc1-c1cccc(-c2nc3ccc(C(=O)NC[C@@H]4CCN(Cc5ccccc5)C4)cc3[nH]2)c1O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 6/20 0.47
BCHE P06276 3/20 0.46
ACHE P22303 2/20 0.46
CARM1 Q86X55 1/20 0.46
DRD2 P14416 5/20 0.45
DRD4 P21917 5/20 0.45
DRD3 P35462 5/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43

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
SCHEMBL4964947 0.90 GSK3B (0.51) CHEK2CARM1HDAC6PDCD1CD274
SCHEMBL1509575 0.90 CHEK2 (0.49) CHEK2BCHEACHECARM1DRD2
SCHEMBL4964897 0.88 CARM1 (0.51) CHEK2CARM1HDAC6
SCHEMBL14090462 0.82 GSK3B (0.49) CHEK2CARM1DRD2DRD3HDAC6
SCHEMBL12834022 0.81 CHEK2 (0.47) CHEK2BCHEACHEHDAC6
SCHEMBL1509636 0.81 GSK3B (0.56) CHEK2CARM1
SCHEMBL14090464 0.80 GSK3B (0.47) CHEK2CARM1HDAC6
SCHEMBL14090453 0.79 MCHR1 (0.48) CHEK2CARM1DRD2DRD4
SCHEMBL4964920 0.78 CARM1 (0.48) CARM1HDAC6
SCHEMBL4963154 0.78 HDAC6 (0.60) CARM1HDAC6

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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 US claimed

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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 CHEK2 330/4885BCHE 4092/4885ACHE 4426/4885

“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.