SCHEMBL12833428

SCHEMBL12833428

CCc1nccn1CCCNC(=O)c1ccc2[nH]c(-c3cc(-c4cccnc4OC)ccc3O)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 10/20 0.44
▸ PDE2A O00408 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ FLT3 P36888 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.36
▸ TET3 O43151 1/20 0.36
▸ TET2 Q6N021 1/20 0.36
▸ TET1 Q8NFU7 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ CARM1 Q86X55 1/20 0.36

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
SCHEMBL12833822 0.92 NAMPT (0.43) NAMPTPDE2APDE10AHDAC3HDAC1
SCHEMBL14091111 0.90 NAMPT (0.41) NAMPTPDE2APDE10AHDAC3HDAC1
SCHEMBL12833759 0.88 NAMPT (0.49) NAMPTPDE2APDE10AHDAC3HDAC1
SCHEMBL12833804 0.88 RAB9A (0.43) NAMPTPDE2APDE10AHDAC3HDAC1
SCHEMBL12833893 0.88 NAMPT (0.48) NAMPTPDE2APDE10AHDAC3HDAC1
SCHEMBL12834471 0.87 NAMPT (0.46) NAMPTPDE2APDE10AHDAC3HDAC1
SCHEMBL12833754 0.87 NAMPT (0.52) NAMPT
SCHEMBL12833935 0.86 CHEK1 (0.46) NAMPTGSK3BCARM1
SCHEMBL12833724 0.86 HDAC6 (0.41) NAMPTPDE2APDE10AHDAC3HDAC1
SCHEMBL14090920 0.86 NAMPT (0.46) NAMPTPDE2APDE10AHDAC3HDAC1

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 666/4885PDE2A 2111/4885PDE10A 2478/4885

“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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