SCHEMBL18694033

SCHEMBL18694033

CCOC(=O)c1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c2c(C(C)C)nn(C3CCCCC3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 11/20 0.42
▸ PDK4 Q16654 1/20 0.38
▸ TNK2 Q07912 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ CDK13 Q14004 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ EED O75530 1/20 0.36
▸ RBBP4 Q09028 1/20 0.36
▸ SUZ12 Q15022 1/20 0.36
▸ EZH2 Q15910 1/20 0.36
▸ FGFR1 P11362 1/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35

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
SCHEMBL18694210 0.90 JAK1 (0.43) JAK1PDK4TNK2CDK7CDK13
SCHEMBL18694473 0.80 NR3C1 (0.37) —
SCHEMBL18694651 0.78 KMT2A (0.42) —
SCHEMBL18693933 0.76 CFTR (0.39) —
SCHEMBL18692436 0.76 ALDH1A1 (0.38) —
SCHEMBL18743456 0.75 JAK1 (0.42) JAK1PDK4TNK2ELANECDK7
SCHEMBL18694481 0.75 KDM4E (0.47) JAK1PDK4ELANE
SCHEMBL18694208 0.75 CFTR (0.36) —
SCHEMBL18694269 0.75 PDE9A (0.38) —
SCHEMBL18694647 0.75 CFTR (0.40) —

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 JAK1 393/4885PDK4 657/4885TNK2 3645/4885

“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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