SCHEMBL18693745

SCHEMBL18693745

Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(N3CCCC4(CC4)C3)c12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 15/20 0.53
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL18693855 0.91 CFTR (0.53) CFTRTDP1L3MBTL1
SCHEMBL18694204 0.90 CFTR (0.52) CFTRTDP1L3MBTL1
SCHEMBL18692177 0.87 CFTR (0.59) CFTRLMNATDP1L3MBTL1
SCHEMBL18693575 0.85 CFTR (0.54) CFTRLMNATDP1L3MBTL1
SCHEMBL18694094 0.85 CFTR (0.54) CFTR
SCHEMBL18693776 0.85 CFTR (0.60) CFTR
SCHEMBL18694578 0.84 CFTR (0.60) CFTR
SCHEMBL18694629 0.83 CFTR (0.56) CFTR
SCHEMBL18694502 0.82 CFTR (0.54) CFTR
SCHEMBL18694759 0.81 CFTR (0.69) 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-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-20170100386-A1 NOVEL COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS ABBVIE 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 1/4885CYP3A4 505/4885CYP2C19 375/4885
US-10130622-B2 Compounds for treatment of cystic fibrosis CFTR, CLCN2, SLC26A4 CFTR 1/4885CYP3A4 3776/4885CYP2C19 4543/4885
US-20170100386-A1 NOVEL COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, CLCN2, SLC26A4 CFTR 1/4885CYP3A4 4347/4885CYP2C19 4718/4885

“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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