Sugi Predict

Sugi Predict / Compounds / SCHEMBL12833907

SCHEMBL12833907

SCHEMBL12833907

COCCN1CCCC(CNC(=O)c2ccc3[nH]c(-c4cc(-c5cccnc5OC)ccc4O)nc3c2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 7/20 0.53
▸ CARM1 Q86X55 1/20 0.40
▸ TBK1 Q9UHD2 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ LYN P07948 1/20 0.39
▸ GRK2 P25098 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ MAPK7 Q13164 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ DYRK2 Q92630 1/20 0.39
▸ CHEK2 O96017 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ GHSR Q92847 1/20 0.38
▸ BCHE P06276 2/20 0.38
▸ CCR3 P51677 2/20 0.38

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
SCHEMBL12833926 0.95 GSK3B (0.47) GSK3BCARM1TBK1CHEK2HDAC3
SCHEMBL14090732 0.93 GSK3B (0.46) GSK3BCARM1TBK1CHEK2HDAC3
SCHEMBL1509636 0.91 GSK3B (0.56) GSK3BCARM1TBK1KCNH2LYN
SCHEMBL12834324 0.90 GSK3B (0.51) GSK3BCARM1TBK1HDAC3HDAC1
SCHEMBL12833911 0.90 GSK3B (0.44) GSK3BCARM1TBK1CHEK2HDAC3
SCHEMBL12834270 0.90 CHEK2 (0.46) GSK3BCARM1TBK1CHEK2HDAC3
SCHEMBL12833897 0.89 GSK3B (0.44) GSK3BCARM1TBK1KCNH2HDAC3
SCHEMBL12833848 0.89 GSK3B (0.42) GSK3BCARM1TBK1CHEK2HDAC3
SCHEMBL12833943 0.88 TBK1 (0.46) GSK3BCARM1TBK1CHEK2HDAC3
SCHEMBL12834036 0.88 GSK3B (0.53) GSK3BCARM1TBK1HDAC3HDAC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 — — EP disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 GSK3B 1395/4885CARM1 785/4885TBK1 236/4885

“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.