SCHEMBL12833987

SCHEMBL12833987

COC(=O)c1ccc2nc(-c3ccc4c(c3)CCCN4C)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.53
▸ MMP9 P14780 1/20 0.53
▸ MMP8 P22894 1/20 0.53
▸ MMP13 P45452 1/20 0.53
▸ SIRT2 Q8IXJ6 5/20 0.49
▸ SIRT1 Q96EB6 4/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ RHEB Q15382 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CREBBP Q92793 1/20 0.47
▸ CHEK2 O96017 4/20 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
SCHEMBL14091246 0.83 MTOR (0.50) SIRT2SIRT1HPGDCHEK2HDAC3
SCHEMBL20982471 0.79 MMP2 (0.78) MMP2MMP9MMP8MMP13SIRT2
SCHEMBL13991531 0.79 PDK1 (0.58) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL30041925 0.79 PDK1 (0.58) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL14091372 0.79 HDAC6 (0.65) CHEK2HDAC3HDAC1HDAC2HDAC8
SCHEMBL14091373 0.78 HDAC6 (0.55) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL14091247 0.78 TERT (0.70) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL12833539 0.76 TERT (0.41) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL19763371 0.75 CHEK2 (0.72) MMP2MMP9MMP8MMP13SIRT2
SCHEMBL5222037 0.75 MMP2 (0.75) MMP2MMP9MMP8MMP13KDM4E

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
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

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 MMP2 4657/4885MMP9 4152/4885MMP8 833/4885

“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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