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Sugi Predict / Compounds / SCHEMBL18693307

SCHEMBL18693307

SCHEMBL18693307

O=C(O)C(=O)C=Cc1ccc(N2CCOCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.68
▸ RAB9A P51151 5/20 0.68
▸ L3MBTL1 Q9Y468 4/20 0.68
▸ NPC1 O15118 4/20 0.68
▸ ALDH1A1 P00352 3/20 0.68
▸ SMN1; SMN2 Q16637 2/20 0.68
▸ MEN1 O00255 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ MAOB P27338 2/20 0.63
▸ LMNA P02545 3/20 0.56
▸ PTGS2 P35354 1/20 0.55
▸ MITF O75030 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ ESR1 P03372 1/20 0.53
▸ MAOA P21397 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ APP P05067 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
SCHEMBL18693305 1.00 MAPT (0.68) MAPTRAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL14270083 0.87 PTGS2 (0.73) MAPTRAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL18693939 0.87 PTGS2 (0.73) MAPTRAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL11823548 0.87 MAPT (0.71) MAPTRAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL11823556 0.87 MAPT (0.71) MAPTRAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL18694771 0.86 PTGS2 (0.71) MAPTRAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL18694770 0.86 PTGS2 (0.71) MAPTRAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL11264997 0.85 PTGS2 (0.75) MAPTRAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL18694423 0.83 HDAC3 (0.61) MAPTRAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL18694425 0.83 HDAC3 (0.61) MAPTRAB9AL3MBTL1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190202823-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE SARL (LU) 2019-07-04 — — US disclosed
US-9890158-B2 N-sulfonylated pyrazolo[3,4-b]pyridin-6-carboxamides and method of use ABBVIE S.Á.R.L. (LU) 2018-02-13 — — US disclosed
US-9796711-B2 Substituted pyrazolo[3,4-b]pyridin-6-carboxylic acids and method of use ABBVIE S.Á.R.L. (LU) 2017-10-24 — — US disclosed
US-20170101405-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE S.Á.R.L. (LU) 2017-04-13 — — US disclosed
US-20170101406-A1 SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE ABBVIE OVERSEAS S.Á.R.L. (LU) 2017-04-13 — — 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 (3 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-20170101405-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE CFTR, P2RY1, P2RX5 MAPT 4879/4885RAB9A 1911/4885L3MBTL1 4490/4885
US-20170101406-A1 SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE CFTR, CHRM3, P2RY1 MAPT 4854/4885RAB9A 1657/4885L3MBTL1 4202/4885
US-20190202823-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE CFTR, P2RY1, P2RX5 MAPT 4879/4885RAB9A 1911/4885L3MBTL1 4490/4885

“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.