SCHEMBL14091250

SCHEMBL14091250

Cc1ccccc1-c1ccc(-c2nc3ccc(C(=O)N4CCOCC4)cc3[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.55
▸ SIRT1 Q96EB6 1/20 0.55
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PIK3CD O00329 2/20 0.52
▸ MTOR P42345 2/20 0.52
▸ PIK3CA P42336 1/20 0.52
▸ MGLL Q99685 1/20 0.52
▸ CHEK2 O96017 8/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.50
▸ FGFR1 P11362 1/20 0.50
▸ FGFR2 P21802 1/20 0.50
▸ FGFR3 P22607 1/20 0.50
▸ KDR P35968 1/20 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
▸ PIK3CB P42338 1/20 0.49
▸ ATR Q13535 1/20 0.49

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
SCHEMBL12833993 0.82 MEN1 (0.66) MEN1KMT2APIK3CDMTORPIK3CA
SCHEMBL14115835 0.82 SIRT2 (0.55) SIRT2SIRT1PIK3CDMTORPIK3CA
SCHEMBL22955640 0.81 MEN1 (0.59) MEN1KMT2APIK3CDMTORPIK3CA
SCHEMBL14090245 0.80 MEN1 (0.53) MEN1KMT2APIK3CDMTORPIK3CA
SCHEMBL14091241 0.79 SIRT2 (0.54) SIRT2SIRT1PIK3CDMTORPIK3CA
SCHEMBL14091260 0.79 PIK3CD (0.52) SIRT2SIRT1PIK3CDMTORPIK3CA
SCHEMBL14091282 0.78 SIRT2 (0.51) SIRT2SIRT1PIK3CDMTORPIK3CA
SCHEMBL14091217 0.78 ATR (0.49) SIRT2SIRT1MEN1KMT2APIK3CD
SCHEMBL14091510 0.78 KDM4E (0.65) SIRT2SIRT1CHEK2HDAC6HDAC3
SCHEMBL12833525 0.77 KMT2A (0.57) MEN1KMT2APIK3CDMTORPIK3CA

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 SIRT2 1912/4885SIRT1 1935/4885MEN1 1879/4885

“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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