SCHEMBL12833754

SCHEMBL12833754

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)NCCCn4ccnc4)ccc3[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 18/20 0.52
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL14090463 0.90 NAMPT (0.46) NAMPT
SCHEMBL12833759 0.87 NAMPT (0.49) NAMPT
SCHEMBL12833822 0.87 NAMPT (0.43) NAMPT
SCHEMBL12833935 0.87 CHEK1 (0.46) NAMPTKMT2AMAPT
SCHEMBL12833428 0.87 NAMPT (0.44) NAMPT
SCHEMBL12833824 0.86 NAMPT (0.48) NAMPT
SCHEMBL14090729 0.86 HDAC6 (0.40) NAMPT
SCHEMBL12834456 0.86 NAMPT (0.46) NAMPT
SCHEMBL12834222 0.86 NAMPT (0.46) NAMPTALDH1A1MAPT
SCHEMBL12833838 0.86 NAMPT (0.45) NAMPTALDH1A1

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 NAMPT 666/4885MEN1 1879/4885KMT2A 1726/4885

“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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