SCHEMBL14090252

SCHEMBL14090252

O=C(c1ccc2nc(-c3cc(-c4cccnc4)ccc3O)[nH]c2c1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.49
▸ ATR Q13535 2/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ RIPK1 Q13546 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ERN1 O75460 1/20 0.47
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ FHIT P49789 1/20 0.46
▸ MKNK1 Q9BUB5 1/20 0.46
▸ MKNK2 Q9HBH9 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ FGFR1 P11362 2/20 0.45
▸ FGFR2 P21802 2/20 0.45
▸ FGFR3 P22607 2/20 0.45
▸ KDR P35968 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ FLT3 P36888 1/20 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) ATRMEN1KMT2AERN1PIK3CD
SCHEMBL14090212 0.90 PIK3CD (0.49) ACACBATRMEN1KMT2AERN1
SCHEMBL14090220 0.88 HDAC6 (0.51) ATRMEN1KMT2AERN1PIK3CD
SCHEMBL14090386 0.87 RIPK1 (0.48) ATRRIPK1MEN1KMT2AERN1
SCHEMBL14090259 0.86 ACACB (0.46) ACACBHTR2BFHITMKNK1MKNK2
SCHEMBL14090236 0.85 MEN1 (0.47) ATRRIPK1MEN1KMT2AERN1
SCHEMBL14090263 0.84 HDAC6 (0.49) ACACBATRMEN1KMT2AERN1
SCHEMBL14090204 0.84 FGFR1 (0.48) ATRMEN1KMT2AERN1PIK3CD
SCHEMBL14090227 0.83 FGFR1 (0.49) ACACBATRRIPK1MEN1KMT2A
SCHEMBL14090342 0.80 AMY1A (0.53) ATRMEN1KMT2APIK3CDPIK3CA

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 ACACB 1636/4885ATR 1006/4885HTR2B 3676/4885

“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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