SCHEMBL18693855

SCHEMBL18693855

Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(N3CC4(CCCC4)C3)c12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 15/20 0.53
▸ TDP1 Q9NUW8 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL18694204 0.99 CFTR (0.52) CFTRTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL18693745 0.91 CFTR (0.53) CFTRTDP1L3MBTL1
SCHEMBL18694578 0.91 CFTR (0.60) CFTRKDM4EALDH1A1
SCHEMBL18694094 0.90 CFTR (0.54) CFTRKDM4EALDH1A1
SCHEMBL18694629 0.87 CFTR (0.56) CFTRKDM4EALDH1A1
SCHEMBL18694819 0.86 CFTR (0.53) CFTRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL18692177 0.85 CFTR (0.59) CFTRTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL18693971 0.84 CFTR (0.58) CFTR
SCHEMBL18693575 0.84 CFTR (0.54) CFTRTDP1L3MBTL1
SCHEMBL18692376 0.83 CFTR (0.59) CFTR

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
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 claimed
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 claimed
US-10130622-B2 Compounds for treatment of cystic fibrosis ABBVIE S.Á.R.L. (LU) 2018-11-20 — — 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-20170100386-A1 NOVEL COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS 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-20170101406-A1 SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE CFTR, CHRM3, P2RY1 CFTR 1/4885TDP1 1731/4885L3MBTL1 4202/4885
US-10130622-B2 Compounds for treatment of cystic fibrosis CFTR, CLCN2, SLC26A4 CFTR 1/4885TDP1 4782/4885L3MBTL1 3205/4885
US-20170100386-A1 NOVEL COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, CLCN2, SLC26A4 CFTR 1/4885TDP1 4772/4885L3MBTL1 3061/4885

“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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