SCHEMBL14090703

SCHEMBL14090703

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)NCCc4nc(-c5ccccn5)no4)ccc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 5/20 0.43
▸ TNKS O95271 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ 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
▸ KLKB1 P03952 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL12833439 0.93 NAMPT (0.44) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12834183 0.93 HDAC3 (0.40) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12834012 0.90 NAMPT (0.43) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12833503 0.86 TSHR (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833801 0.85 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12833770 0.85 HDAC3 (0.40) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12833838 0.84 NAMPT (0.45) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12834471 0.84 NAMPT (0.46) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12833950 0.84 HDAC6 (0.47) NAMPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL12833734 0.84 THRB (0.53) NAMPTPOLBTHRB

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
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 666/4885TNKS 816/4885PARP1 2051/4885

“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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