SCHEMBL14090220

SCHEMBL14090220

O=C(c1ccc2nc(-c3cc(-c4cccc(Cl)c4)ccc3O)[nH]c2c1)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.51
▸ JAK2 O60674 1/20 0.50
▸ BTK Q06187 1/20 0.50
▸ CHEK2 O96017 1/20 0.50
▸ PIN1 Q13526 1/20 0.50
▸ ERN1 O75460 2/20 0.49
▸ MGLL Q99685 2/20 0.49
▸ ATR Q13535 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ FGFR1 P11362 2/20 0.45
▸ FGFR2 P21802 2/20 0.45
▸ FGFR3 P22607 2/20 0.45

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
SCHEMBL14090245 0.91 MEN1 (0.53) HDAC6JAK2CHEK2ERN1MGLL
SCHEMBL14090252 0.88 ACACB (0.49) ERN1MGLLATRMEN1KMT2A
SCHEMBL14090212 0.86 PIK3CD (0.49) HDAC6JAK2CHEK2ERN1ATR
SCHEMBL14090218 0.86 MGLL (0.48) HDAC6BTKCHEK2MGLLFGFR1
SCHEMBL14090263 0.86 HDAC6 (0.49) HDAC6CHEK2ERN1ATRMEN1
SCHEMBL14090236 0.85 MEN1 (0.47) HDAC6JAK2CHEK2ERN1MGLL
SCHEMBL14090204 0.84 FGFR1 (0.48) HDAC6JAK2ERN1ATRMEN1
SCHEMBL14090386 0.83 RIPK1 (0.48) HDAC6JAK2CHEK2ERN1MGLL
SCHEMBL14090342 0.80 AMY1A (0.53) HDAC6MGLLATRMEN1KMT2A
SCHEMBL14090227 0.80 FGFR1 (0.49) JAK2ATRMEN1KMT2APIK3CD

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 4 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

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 HDAC6 541/4885JAK2 4/4885BTK 9/4885

“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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