SCHEMBL12833945

SCHEMBL12833945

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)Nc4ccccc4Cn4ccnc4C)ccc3[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ SMO Q99835 1/20 0.38
▸ HPSE Q9Y251 3/20 0.37
▸ MAPT P10636 6/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL12833941 0.88 TRPV1 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833747 0.87 TRPV1 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833483 0.86 PDCD1 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833823 0.86 MAPT (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833992 0.85 HDAC6 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833893 0.85 NAMPT (0.48) WDR5HDAC3HDAC1HDAC2HDAC8
SCHEMBL12833822 0.84 NAMPT (0.43) WDR5HDAC3HDAC1HDAC2HDAC8
SCHEMBL14090945 0.84 NPSR1 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833771 0.83 PRSS12 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14090718 0.83 MAPT (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6

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 WDR5 3145/4885HDAC3 911/4885HDAC1 826/4885

“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.

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