SCHEMBL4964920

SCHEMBL4964920

COc1ncccc1-c1cccc(-c2nc3ccc(C(=O)NCC[C@@H]4CCCN4C)cc3[nH]2)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.48
HDAC6 Q9UBN7 1/20 0.47
TLR9 Q9NR96 2/20 0.44
TLR8 Q9NR97 2/20 0.44
TLR7 Q9NYK1 2/20 0.44
BRAF P15056 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
SCD O00767 1/20 0.41
PDE2A O00408 1/20 0.40
PDE10A Q9Y233 1/20 0.40
CDK4 P11802 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40
CCND3 P30281 1/20 0.40
F2 P00734 3/20 0.40
F10 P00742 3/20 0.40
PLG P00747 2/20 0.40

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
SCHEMBL1509504 0.89 BRAF (0.47) CARM1HDAC6TLR9TLR8TLR7
SCHEMBL4963489 0.85 CARM1 (0.49) CARM1HDAC6CDK4CCNA2CCND1
SCHEMBL4964915 0.84 RAB9A (0.48) CARM1HDAC6
SCHEMBL4964897 0.82 CARM1 (0.51) CARM1HDAC6CDK4CCNA2CCND1
SCHEMBL12833480 0.82 TLR9 (0.45) CARM1HDAC6TLR9TLR8TLR7
SCHEMBL4963154 0.81 HDAC6 (0.60) CARM1HDAC6PDE10AF2F10
SCHEMBL4964947 0.81 GSK3B (0.51) CARM1HDAC6F2F10PRSS1
SCHEMBL4963532 0.81 HDAC6 (0.50) CARM1HDAC6PDE2APDE10AF2
SCHEMBL4965539 0.80 HDAC6 (0.61) CARM1HDAC6PDE10ACDK4CCNA2
SCHEMBL14090479 0.80 CARM1 (0.46) CARM1HDAC6PDE3BPDE3ACDK4

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 CARM1 785/4885HDAC6 541/4885TLR9 131/4885

“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.