SCHEMBL12833445

SCHEMBL12833445

CCCN1CCC(NC(=O)c2ccc3[nH]c(-c4cc(-c5cccnc5OC)ccc4O)nc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.47
EGLN1 Q9GZT9 2/20 0.46
GSK3B P49841 2/20 0.45
TBK1 Q9UHD2 2/20 0.40
DYRK1A Q13627 2/20 0.39
MAPK14 Q16539 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PARP1 P09874 1/20 0.39
WNT1 P04628 1/20 0.39
NAMPT P43490 1/20 0.38
KCNH2 Q12809 1/20 0.38
AKT1 P31749 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 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
SCHEMBL1509532 0.92 CARM1 (0.43) CARM1EGLN1GSK3BTBK1DYRK1A
SCHEMBL14090431 0.91 CARM1 (0.44) CARM1EGLN1GSK3BTBK1KCNH2
SCHEMBL12834192 0.90 MAPK14 (0.47) CARM1GSK3BMAPK14HDAC3HDAC1
SCHEMBL12833953 0.90 TBK1 (0.46) CARM1GSK3BTBK1AKT1SMN1; SMN2
SCHEMBL12833837 0.90 GSK3B (0.56) CARM1GSK3BTBK1DYRK1AHDAC3
SCHEMBL12833813 0.90 DRD4 (0.52) CARM1GSK3BTBK1MAPK14AKT1
SCHEMBL12834171 0.90 ALDH1A1 (0.46) CARM1MAPK14KDM4ENPC1ALDH1A1
SCHEMBL12833757 0.89 SMN1; SMN2 (0.45) CARM1EGLN1GSK3BMAPK14HDAC3
SCHEMBL12833513 0.89 DRD4 (0.51) CARM1GSK3BTBK1DYRK1AWNT1
SCHEMBL12833745 0.88 SMN1; SMN2 (0.47) CARM1MAPK14HDAC3HDAC1HDAC2

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 CARM1 785/4885EGLN1 4009/4885GSK3B 1395/4885

“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.