SCHEMBL18694129

SCHEMBL18694129

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ LMNA P02545 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GPR119 Q8TDV5 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ CKS1B P61024 1/20 0.43
▸ SKP1 P63208 1/20 0.43
▸ SKP2 Q13309 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43
▸ CFTR P13569 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ THRB P10828 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
SCHEMBL18694035 0.89 KDM4E (0.51) HSD17B10KDM4EHPGDLMNAALDH1A1
SCHEMBL18694396 0.86 HPGD (0.60) HSD17B10KDM4EHPGDLMNAALDH1A1
SCHEMBL18694405 0.86 KDM4E (0.51) HSD17B10KDM4EHPGDLMNAALDH1A1
SCHEMBL18694786 0.84 KHK (0.52) HSD17B10KDM4EHPGDLMNAALDH1A1
SCHEMBL18694511 0.84 KDM4E (0.48) HSD17B10KDM4EHPGDLMNAALDH1A1
SCHEMBL18694031 0.84 CFTR (0.59) HSD17B10KDM4EHPGDLMNAALDH1A1
SCHEMBL18694494 0.82 KDM4E (0.47) HSD17B10KDM4EHPGDLMNAALDH1A1
SCHEMBL18694481 0.82 KDM4E (0.47) HSD17B10KDM4EHPGDALDH1A1POLB
SCHEMBL18693902 0.79 CFTR (0.62) HSD17B10KDM4EHPGDCFTR
SCHEMBL18694579 0.77 CFTR (0.56) HSD17B10KDM4EHPGDLMNAALDH1A1

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 HSD17B10 3762/4885KDM4E 4749/4885HPGD 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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