SCHEMBL18694431

SCHEMBL18694431

Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(C3CCN(CC#N)CC3)c12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 12/20 0.51
▸ CCNE1 P24864 4/20 0.48
▸ CDK2 P24941 4/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CDK1 P06493 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ MAPT P10636 1/20 0.41

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
SCHEMBL18694794 0.90 KDM4E (0.51) CFTRCCNE1CDK2KDM4EHPGD
SCHEMBL18694424 0.84 CFTR (0.55) CFTRKDM4EHPGDHSD17B10MAPT
SCHEMBL18694812 0.83 CFTR (0.52) CFTRCCNE1CDK2CDK1CCNB1
SCHEMBL18694571 0.79 CFTR (0.73) CFTR
SCHEMBL18694232 0.75 KDM4E (0.59) CFTRKDM4EHPGDHSD17B10MAPT
SCHEMBL18743336 0.75 KDM4E (0.58) CFTRKDM4EHPGDHSD17B10MAPT
SCHEMBL18694494 0.74 KDM4E (0.47) CFTRCCNE1CDK2KDM4EHPGD
SCHEMBL18694144 0.73 KHK (0.56) CFTRKDM4EHPGDHSD17B10MAPT
SCHEMBL18694396 0.73 HPGD (0.60) KDM4EHPGDHSD17B10MAPT
SCHEMBL18693874 0.72 CFTR (0.63) 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 1/4885CCNE1 2152/4885CDK2 1587/4885
US-10130622-B2 Compounds for treatment of cystic fibrosis CFTR, CLCN2, SLC26A4 CFTR 1/4885CCNE1 3257/4885CDK2 4018/4885
US-20170100386-A1 NOVEL COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, CLCN2, SLC26A4 CFTR 1/4885CCNE1 3530/4885CDK2 4101/4885

“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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