SCHEMBL1509532

SCHEMBL1509532

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)NC4CCN(C)CC4)ccc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.43
EGLN1 Q9GZT9 1/20 0.43
MAPK14 Q16539 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GSK3B P49841 1/20 0.41
ROCK2 O75116 4/20 0.41
ROCK1 Q13464 1/20 0.41
PTK2 Q05397 2/20 0.41
BRD4 O60885 2/20 0.41
DCLK1 O15075 1/20 0.41
MAPK7 Q13164 1/20 0.41
LRRK2 Q5S007 1/20 0.41
WNT1 P04628 2/20 0.41
DYRK1A Q13627 2/20 0.41
TBK1 Q9UHD2 2/20 0.40
BRDT Q58F21 1/20 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
SCHEMBL12834192 0.94 MAPK14 (0.47) CARM1MAPK14HDAC3HDAC1HDAC2
SCHEMBL12833757 0.92 SMN1; SMN2 (0.45) CARM1EGLN1MAPK14HDAC3HDAC1
SCHEMBL12833445 0.92 CARM1 (0.47) CARM1EGLN1MAPK14HDAC3HDAC1
SCHEMBL12833745 0.92 SMN1; SMN2 (0.47) CARM1MAPK14HDAC3HDAC1HDAC2
SCHEMBL12834171 0.90 ALDH1A1 (0.46) CARM1MAPK14
SCHEMBL12833953 0.89 TBK1 (0.46) CARM1GSK3BROCK2ROCK1TBK1
SCHEMBL12833424 0.89 PDE10A (0.44) CARM1MAPK14HDAC3HDAC1HDAC2
SCHEMBL14090932 0.89 GSK3B (0.45) CARM1EGLN1HDAC3HDAC1HDAC2
SCHEMBL12834036 0.89 GSK3B (0.53) CARM1EGLN1MAPK14HDAC3HDAC1
SCHEMBL12833813 0.89 DRD4 (0.52) CARM1MAPK14GSK3BROCK2ROCK1

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 7 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
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
WO-2007056155-A1 HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2007-05-18 WO 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 4009/4885MAPK14 414/4885

“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.