SCHEMBL18694504

SCHEMBL18694504

Cc1cccc(-n2nc(C(C)C)c3c(N4CCCC4)cc(C(=O)O)nc32)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 10/20 0.53
▸ RPA1 P27694 1/20 0.43
▸ PPARA Q07869 6/20 0.42
▸ PPARG P37231 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LMNA P02545 2/20 0.40

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
SCHEMBL18692216 0.99 CFTR (0.52) CFTRRPA1PPARAPPARGKDM4E
SCHEMBL18694322 0.91 CFTR (0.50) CFTRRPA1PPARAPPARGKDM4E
SCHEMBL18694228 0.90 CFTR (0.48) CFTRRPA1PPARAPPARGKDM4E
SCHEMBL18692859 0.88 CFTR (0.50) CFTRRPA1PPARAPPARG
SCHEMBL18694799 0.88 CFTR (0.50) CFTRRPA1PPARAPPARG
SCHEMBL18694487 0.88 KDM4E (0.43) CFTRKDM4EMEN1ALDH1A1KMT2A
SCHEMBL18693849 0.88 CFTR (0.47) CFTRRPA1PPARAPPARGKDM4E
SCHEMBL18694488 0.88 CFTR (0.49) CFTRRPA1PPARAPPARGKDM4E
SCHEMBL18692114 0.88 CFTR (0.47) CFTRRPA1PPARAPPARGKDM4E
SCHEMBL18693932 0.88 CFTR (0.51) CFTRRPA1PPARAPPARGKDM4E

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 1/4885RPA1 3296/4885PPARA 302/4885
US-10130622-B2 Compounds for treatment of cystic fibrosis CFTR, CLCN2, SLC26A4 CFTR 1/4885RPA1 3897/4885PPARA 2433/4885
US-20170100386-A1 NOVEL COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, CLCN2, SLC26A4 CFTR 1/4885RPA1 3960/4885PPARA 3380/4885

“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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