SCHEMBL14091260

SCHEMBL14091260

O=C(c1ccc2nc(-c3ccc4nsnc4c3)[nH]c2c1)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.52
▸ MTOR P42345 2/20 0.52
▸ PIK3CA P42336 1/20 0.52
▸ SIRT2 Q8IXJ6 1/20 0.51
▸ SIRT1 Q96EB6 1/20 0.51
▸ ATR Q13535 2/20 0.51
▸ FLT3 P36888 4/20 0.50
▸ FGFR1 P11362 2/20 0.50
▸ FGFR2 P21802 2/20 0.50
▸ FGFR3 P22607 2/20 0.50
▸ KDR P35968 2/20 0.50
▸ HDAC6 Q9UBN7 2/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ CHEK2 O96017 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ JAK2 O60674 1/20 0.47
▸ MGLL Q99685 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
SCHEMBL30627034 0.82 PHGDH (0.56) HPGD
SCHEMBL14115835 0.80 SIRT2 (0.55) PIK3CDMTORPIK3CASIRT2SIRT1
SCHEMBL12833993 0.80 MEN1 (0.66) PIK3CDMTORPIK3CAATRFLT3
SCHEMBL14091250 0.79 SIRT2 (0.55) PIK3CDMTORPIK3CASIRT2SIRT1
SCHEMBL14091246 0.78 MTOR (0.50) PIK3CDMTORPIK3CASIRT2SIRT1
SCHEMBL14091241 0.77 SIRT2 (0.54) PIK3CDMTORPIK3CASIRT2SIRT1
SCHEMBL14091217 0.77 ATR (0.49) PIK3CDMTORPIK3CASIRT2SIRT1
SCHEMBL14091282 0.77 SIRT2 (0.51) PIK3CDMTORPIK3CASIRT2SIRT1
SCHEMBL25138202 0.76 HDAC3 (0.56) PIK3CDMTORPIK3CASIRT2SIRT1
SCHEMBL14090245 0.76 MEN1 (0.53) PIK3CDMTORPIK3CAATRFGFR1

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 PIK3CD 170/4885MTOR 87/4885PIK3CA 167/4885

“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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