SCHEMBL14090211

SCHEMBL14090211

O=C(c1ccc2nc(-c3cc(-c4ccncc4)ccc3O)[nH]c2c1)N1CCN(CCO)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKN1 Q16512 2/20 0.44
▸ PKN2 Q16513 2/20 0.44
▸ ACACB O00763 2/20 0.43
▸ ACACA Q13085 1/20 0.43
▸ CHEK2 O96017 3/20 0.43
▸ MGLL Q99685 2/20 0.42
▸ FGFR1 P11362 3/20 0.41
▸ KDR P35968 3/20 0.41
▸ FGFR2 P21802 2/20 0.41
▸ FGFR3 P22607 2/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ LSS P48449 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ TERT O14746 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40

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
SCHEMBL14090244 0.92 MGLL (0.50) ACACBACACACHEK2MGLLFGFR1
SCHEMBL14090259 0.91 ACACB (0.46) ACACBCHEK2MGLLFGFR1KDR
SCHEMBL14090202 0.89 SIRT2 (0.47) CHEK2MGLLFGFR1KDRFGFR2
SCHEMBL14090262 0.89 ALDH1A1 (0.53) ACACBACACACHEK2MGLLFGFR1
SCHEMBL14090218 0.87 MGLL (0.48) CHEK2MGLLFGFR1KDRFGFR2
SCHEMBL14090374 0.86 MGLL (0.41) CHEK2MGLLFGFR1KDRFGFR2
SCHEMBL14090212 0.85 PIK3CD (0.49) PKN1PKN2ACACBACACACHEK2
SCHEMBL14090235 0.85 HDAC6 (0.42) CHEK2MGLLFGFR1KDRFGFR2
SCHEMBL14090226 0.85 CARM1 (0.46) ACACBCHEK2MGLLFGFR1KDR
SCHEMBL14090345 0.83 AMY1A (0.49) CHEK2MGLLFGFR1KDRFGFR2

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 PKN1 1899/4885PKN2 2232/4885ACACB 1636/4885

“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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