SCHEMBL4964897

SCHEMBL4964897

COc1ncccc1-c1cccc(-c2nc3ccc(C(=O)NCC4CCN(CCO)CC4)cc3[nH]2)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.51
GSK3B P49841 2/20 0.49
HDAC6 Q9UBN7 1/20 0.47
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
TBK1 Q9UHD2 2/20 0.41
HTR4 Q13639 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
FLT3 P36888 1/20 0.40
CHEK2 O96017 2/20 0.39
F2 P00734 2/20 0.39
F10 P00742 2/20 0.39

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) CARM1GSK3BHDAC6TBK1CHEK2
SCHEMBL1509617 0.90 GSK3B (0.54) CARM1GSK3BHDAC6PDGFRBFGFR1
SCHEMBL4965185 0.88 CHEK2 (0.47) CARM1HDAC6CHEK2
SCHEMBL14090502 0.84 GSK3B (0.61) CARM1GSK3BTBK1CDK4CCNA2
SCHEMBL4963489 0.83 CARM1 (0.49) CARM1HDAC6FGFR1FGFR3KDR
SCHEMBL4964920 0.82 CARM1 (0.48) CARM1HDAC6CDK4CCNA2CCND1
SCHEMBL4963154 0.80 HDAC6 (0.60) CARM1HDAC6F2F10PRSS1
SCHEMBL12833558 0.80 GSK3B (0.42) CARM1GSK3BHDAC6PDGFRBFGFR1
SCHEMBL1509636 0.80 GSK3B (0.56) CARM1GSK3BTBK1CDK4CCNA2
SCHEMBL14090462 0.80 GSK3B (0.49) CARM1GSK3BHDAC6TBK1CDK4

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 785/4885GSK3B 1395/4885HDAC6 541/4885

“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.