SCHEMBL18694530

SCHEMBL18694530

CNCc1cc(NC(=O)OC(C)(C)C)n(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
MAPK13 O15264 6/20 0.47
MAPK12 P53778 6/20 0.47
MAPK11 Q15759 6/20 0.47
MAPK14 Q16539 6/20 0.47
JAK2 O60674 1/20 0.46
NTRK1 P04629 1/20 0.45
HTT P42858 1/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
GAA P10253 3/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.42
KCNJ6 P48051 1/20 0.42
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42

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
SCHEMBL18925833 0.86 ALDH1A1 (0.51) ALDH1A1LMNAMAPK13MAPK12MAPK11
SCHEMBL17130158 0.84 ALDH1A1 (0.52) ALDH1A1LMNAMAPK13MAPK12MAPK11
SCHEMBL17130156 0.82 ALDH1A1 (0.50) ALDH1A1LMNAMAPK13MAPK12MAPK11
SCHEMBL17130159 0.81 ALDH1A1 (0.47) ALDH1A1LMNAMAPK13MAPK12MAPK11
SCHEMBL18693864 0.81 ALDH1A1 (0.56) ALDH1A1LMNAMAPK13MAPK12MAPK11
SCHEMBL2838774 0.81 GAA (0.66) ALDH1A1LMNAGAA
SCHEMBL18694153 0.80 NTRK1 (0.51) LMNAMAPK13MAPK12MAPK11MAPK14
SCHEMBL17130165 0.80 NTRK1 (0.49) ALDH1A1LMNAMAPK14JAK2NTRK1
SCHEMBL17130157 0.80 NTRK1 (0.49) ALDH1A1LMNAMAPK13MAPK12MAPK11
SCHEMBL18694207 0.80 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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
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
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
WO-2017060873-A1 SUBSTITUTED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXYLIC ACIDS AND THEIR USE AbbVie S.à.r.l. (LU) 2017-04-13 WO disclosed
WO-2017060873-A1 SUBSTITUTED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXYLIC ACIDS AND THEIR USE AbbVie S.à.r.l. (LU) 2017-04-13 WO 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-20170101406-A1 SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE CFTR, CHRM3, P2RY1 ALDH1A1 1509/4885LMNA 4686/4885MAPK13 2888/4885

“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.