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Sugi Predict / Compounds / SCHEMBL14813637

SCHEMBL14813637

SCHEMBL14813637

CC(=O)N1CCN(C(=O)c2cc(-c3ccc(O)c(F)c3)nc3[nH]nc(C)c23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ ACACB O00763 2/20 0.38
▸ ACACA Q13085 2/20 0.38
▸ PARP1 P09874 4/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ MOK Q9UQ07 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL14813865 0.90 ATR (0.41) ESR1ESR2PARP1GSK3BHSP90AA1
SCHEMBL14813837 0.89 PARP1 (0.41) ESR1ESR2PARP1NPC1RAB9A
SCHEMBL14813835 0.88 KDM1A (0.41) ESR1ESR2PARP1
SCHEMBL14813800 0.87 PARP1 (0.42) ESR1ESR2PARP1NPC1RAB9A
SCHEMBL14813878 0.87 ACACB (0.45) ESR1ESR2ACACBACACANPC1
SCHEMBL14814014 0.86 PARP1 (0.39) ESR1ESR2PARP1NPC1RAB9A
SCHEMBL14813518 0.86 ESR1 (0.39) ESR1ESR2GSK3BALK
SCHEMBL14827072 0.86 HDAC4 (0.40) ESR1ESR2HSP90AA1ALDH1A1
SCHEMBL14813795 0.84 PAK4 (0.39) ESR1ESR2PARP1GSK3BALK
SCHEMBL14813705 0.84 KDM1A (0.39) ESR1ESR2PARP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760862-B1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2015-10-21 — — EP disclosed
EP-2760862-B1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI SA (FR) 2015-10-21 — — EP disclosed
US-20130085128-A1 6-(4-Hydroxy-phenyl)-3-alkyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors SANOFI (FR) 2013-04-04 — — US disclosed
US-20130085128-A1 6-(4-Hydroxy-phenyl)-3-alkyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors SANOFI (FR) 2013-04-04 — — US disclosed
WO-2013045413-A1 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS SANOFI (FR) 2013-04-04 — — WO disclosed
US-20130085128-A1 6-(4-Hydroxy-phenyl)-3-alkyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors SANOFI (FR) 2013-04-04 — — 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-20130085128-A1 6-(4-Hydroxy-phenyl)-3-alkyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP4K2 ESR1 2955/4885ESR2 2339/4885ACACB 1371/4885

“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.