SCHEMBL14090212

SCHEMBL14090212

O=C(c1ccc2nc(-c3cc(-c4ccncc4)ccc3O)[nH]c2c1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.49
▸ PIK3CA P42336 1/20 0.49
▸ MTOR P42345 1/20 0.49
▸ FGFR1 P11362 2/20 0.48
▸ FGFR2 P21802 2/20 0.48
▸ FGFR3 P22607 2/20 0.48
▸ KDR P35968 2/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ FLT3 P36888 3/20 0.47
▸ PKN1 Q16512 1/20 0.47
▸ PKN2 Q16513 1/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ CHEK2 O96017 1/20 0.46
▸ ACACB O00763 2/20 0.46
▸ ACACA Q13085 1/20 0.46

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) PIK3CDPIK3CAMTORFGFR1FGFR2
SCHEMBL14090252 0.90 ACACB (0.49) PIK3CDPIK3CAMTORFGFR1FGFR2
SCHEMBL14090263 0.88 HDAC6 (0.49) PIK3CDPIK3CAMTORFGFR1FGFR2
SCHEMBL14090204 0.88 FGFR1 (0.48) PIK3CDPIK3CAMTORFGFR1FGFR2
SCHEMBL14090220 0.86 HDAC6 (0.51) PIK3CDPIK3CAMTORFGFR1FGFR2
SCHEMBL14090386 0.85 RIPK1 (0.48) PIK3CDPIK3CAMTORFGFR1FGFR2
SCHEMBL14090211 0.85 PKN1 (0.44) FGFR1FGFR2FGFR3KDRPKN1
SCHEMBL14090236 0.84 MEN1 (0.47) PIK3CDPIK3CAMTORFGFR1FGFR2
SCHEMBL14090227 0.84 FGFR1 (0.49) PIK3CDPIK3CAMTORFGFR1FGFR2
SCHEMBL14090342 0.82 AMY1A (0.53) PIK3CDPIK3CAMTORFGFR1FGFR2

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

“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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