SCHEMBL12833673

SCHEMBL12833673

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)Nc4ccc(CCN5CC6(CN(C)C6)C5)cc4)ccc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
HPSE Q9Y251 13/20 0.40
ADORA2A P29274 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ABL1 P00519 1/20 0.37

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
SCHEMBL1509459 0.91 ABCG2 (0.42) ABCB1ABCG2HPSEADORA2AHDAC3
SCHEMBL12834002 0.90 ABCB1 (0.45) ABCB1ABCG2HPSEADORA2AHDAC3
SCHEMBL1509641 0.90 DRD2 (0.43) ABCB1ABCG2HPSEADORA2A
SCHEMBL14090449 0.89 ABCG2 (0.44) ABCB1ABCG2HPSEADORA2A
SCHEMBL12833550 0.89 ABCB1 (0.44) ABCB1ABCG2HPSEADORA2A
SCHEMBL14090443 0.88 ABCB1 (0.43) ABCB1ABCG2HPSEADORA2AHDAC3
SCHEMBL14090416 0.87 DDR2 (0.49) HPSEHDAC3HDAC1HDAC2HDAC8
SCHEMBL14090393 0.87 ABCG2 (0.43) ABCB1ABCG2HPSEADORA2AHDAC3
SCHEMBL1509722 0.87 ABCG2 (0.41) ABCB1ABCG2HPSEADORA2A
SCHEMBL1509498 0.87 ABCG2 (0.48) ABCB1ABCG2HPSEHDAC3HDAC1

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 6 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
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 ABCB1 2579/4885ABCG2 3134/4885HPSE 1373/4885

“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.