SCHEMBL18694494

SCHEMBL18694494

CCOC(=O)c1cc(N2CCN(CC#N)CC2)c2c(C)nn(-c3ccccc3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CCNE1 P24864 3/20 0.44
▸ CDK2 P24941 3/20 0.44
▸ CFTR P13569 6/20 0.44
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PDE4D Q08499 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
SCHEMBL18694812 0.90 CFTR (0.52) CCNE1CDK2CFTRLMNA
SCHEMBL18693581 0.88 CFTR (0.61) CFTR
SCHEMBL18694405 0.86 KDM4E (0.51) KDM4EHSD17B10HPGDMEN1KMT2A
SCHEMBL18694035 0.85 KDM4E (0.51) KDM4EHSD17B10HPGDMEN1KMT2A
SCHEMBL18694794 0.84 KDM4E (0.51) KDM4EHSD17B10HPGDMEN1KMT2A
SCHEMBL18694786 0.84 KHK (0.52) KDM4EHSD17B10HPGDMEN1KMT2A
SCHEMBL18694511 0.84 KDM4E (0.48) KDM4EHSD17B10HPGDMEN1KMT2A
SCHEMBL18694031 0.84 CFTR (0.59) KDM4EHSD17B10HPGDMEN1KMT2A
SCHEMBL18694129 0.82 HSD17B10 (0.53) KDM4EHSD17B10HPGDMEN1KMT2A
SCHEMBL18694571 0.77 CFTR (0.73) 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 7 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 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-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-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-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
WO-2017060873-A1 SUBSTITUTED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXYLIC ACIDS AND THEIR USE AbbVie S.à.r.l. (LU) 2017-04-13 — — WO 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 (1 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 KDM4E 4749/4885HSD17B10 3762/4885HPGD 1118/4885

“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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