SCHEMBL12834282

SCHEMBL12834282

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)Nc4ccc(C(C)=O)cc4)ccc3[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 11/20 0.48
ADORA2A P29274 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ABL1 P00519 1/20 0.44
AURKB Q96GD4 1/20 0.42
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL12833884 0.95 HPSE (0.48) HPSEADORA2AHDAC3HDAC1HDAC2
SCHEMBL12834486 0.93 HPSE (0.48) HPSEADORA2AHDAC3HDAC1HDAC2
SCHEMBL12833725 0.93 HPSE (0.48) HPSEADORA2AHDAC3HDAC1HDAC2
SCHEMBL12833800 0.93 HPSE (0.49) HPSEADORA2AHDAC3HDAC1HDAC2
SCHEMBL12833934 0.93 ADORA2A (0.48) HPSEADORA2AHDAC3HDAC1HDAC2
SCHEMBL12834263 0.93 ADORA2A (0.56) HPSEADORA2AHDAC3HDAC1HDAC2
SCHEMBL12834483 0.92 ADORA2A (0.47) HPSEADORA2AHDAC3HDAC1HDAC2
SCHEMBL14090441 0.91 HPSE (0.45) HPSEADORA2AHDAC3HDAC1HDAC2
SCHEMBL12834169 0.91 HPSE (0.48) HPSEADORA2AHDAC3HDAC1HDAC2
SCHEMBL12834217 0.91 HPSE (0.48) HPSEADORA2AHDAC3HDAC1HDAC2

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 HPSE 1373/4885ADORA2A 1261/4885HDAC3 911/4885

“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.