SCHEMBL12834458

SCHEMBL12834458

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)Nc4cccc(C#N)c4)ccc3[nH]2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.44
ADORA2A P29274 1/20 0.43
COMT P21964 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
MAPT P10636 3/20 0.42
HPSE Q9Y251 3/20 0.41
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
MAPKAPK2 P49137 1/20 0.40
PDE10A Q9Y233 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRAF P15056 1/20 0.40
GRM4 Q14833 1/20 0.40
PLAU P00749 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
SCHEMBL14090897 0.92 HPSE (0.46) ADORA2AMAPTHPSEHDAC3HDAC1
SCHEMBL12833947 0.89 MAPT (0.49) ADORA2ACOMTMAPTHPSEHDAC3
SCHEMBL12833800 0.89 HPSE (0.49) ADORA2ACOMTHPSEHDAC3HDAC1
SCHEMBL14090402 0.89 ATM (0.45) ADORA2ACOMTMAPTHPSEHDAC3
SCHEMBL14531461 0.89 ADORA2A (0.51) ADORA2ACOMTMAPTHPSEHDAC3
SCHEMBL12833459 0.87 ADORA2A (0.44) ADORA2ACOMTMAPTHPSEHDAC3
SCHEMBL12834162 0.87 ADORA2A (0.44) MAPK14ADORA2ACOMTMAPTHPSE
SCHEMBL12834251 0.86 HPSE (0.51) ADORA2AMAPTHPSEHDAC3HDAC1
SCHEMBL12834483 0.86 ADORA2A (0.47) ADORA2ACOMTMAPTHPSEHDAC3
SCHEMBL12834282 0.86 HPSE (0.48) ADORA2AMAPTHPSEHDAC3HDAC1

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 MAPK14 414/4885ADORA2A 1261/4885COMT 3638/4885

“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.