SCHEMBL18694759

SCHEMBL18694759

Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(N3CCCOCC3)c12

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 19/20 0.69
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52

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
SCHEMBL18694507 0.96 CFTR (0.74) CFTRKDM4EALDH1A1
SCHEMBL18692177 0.90 CFTR (0.59) CFTRKDM4EALDH1A1
SCHEMBL18694025 0.88 CFTR (0.65) CFTRKDM4EALDH1A1
SCHEMBL18694797 0.87 CFTR (0.62) CFTRKDM4EALDH1A1
SCHEMBL18693992 0.85 CFTR (0.64) CFTRKDM4EALDH1A1
SCHEMBL18694291 0.85 CFTR (0.74) CFTR
SCHEMBL18694697 0.85 CFTR (0.62) CFTRKDM4E
SCHEMBL18694578 0.83 CFTR (0.60) CFTRKDM4EALDH1A1
SCHEMBL18694579 0.82 CFTR (0.56) CFTRKDM4EALDH1A1
SCHEMBL18694521 0.82 CFTR (0.74) CFTRKDM4E

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 1/4885KDM4E 4749/4885ALDH1A1 1509/4885
US-10130622-B2 Compounds for treatment of cystic fibrosis CFTR, CLCN2, SLC26A4 CFTR 1/4885KDM4E 3964/4885ALDH1A1 3503/4885
US-20170100386-A1 NOVEL COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, CLCN2, SLC26A4 CFTR 1/4885KDM4E 3680/4885ALDH1A1 4105/4885

“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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