SCHEMBL18694784

SCHEMBL18694784

O=C(O)c1cc(N2CCN(C3CCC3)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 20/20 0.64
▸ CYP2C9 P11712 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL18694087 0.96 CFTR (0.61) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18692287 0.95 CFTR (0.68) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18693770 0.93 CFTR (0.68) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18694626 0.93 CFTR (0.57) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18693386 0.93 CFTR (0.67) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18694850 0.92 CFTR (0.66) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18694703 0.90 CFTR (0.75) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18693073 0.90 CFTR (0.75) CFTRCYP2C9HRH1TMEM97SIGMAR1
SCHEMBL18692174 0.90 CFTR (0.78) CFTR
SCHEMBL29642771 0.90 CFTR (0.78) 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 1/4885CYP2C9 656/4885HRH1 93/4885
US-10130622-B2 Compounds for treatment of cystic fibrosis CFTR, CLCN2, SLC26A4 CFTR 1/4885CYP2C9 4689/4885HRH1 1971/4885
US-20170100386-A1 NOVEL COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, CLCN2, SLC26A4 CFTR 1/4885CYP2C9 4806/4885HRH1 2357/4885

“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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