SCHEMBL18694481

SCHEMBL18694481

CCOC(=O)c1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c2c(C)nn(-c3ccccc3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ GRM5 P41594 3/20 0.47
▸ GRM1 Q13255 3/20 0.47
▸ PDK4 Q16654 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CFTR P13569 9/20 0.43
▸ ELANE P08246 1/20 0.43
▸ HTR6 P50406 1/20 0.42
▸ JAK1 P23458 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
SCHEMBL18717652 0.88 KDM4E (0.46) KDM4EHSD17B10HPGDMEN1USP2
SCHEMBL18694129 0.82 HSD17B10 (0.53) KDM4EHSD17B10HPGDMEN1USP2
SCHEMBL18694396 0.80 HPGD (0.60) KDM4EHSD17B10HPGDMEN1USP2
SCHEMBL18704450 0.78 GRM1 (0.47) KDM4EHSD17B10HPGDGRM5GRM1
SCHEMBL16597846 0.76 TNK2 (0.50) GRM5GRM1PDK4
SCHEMBL18694033 0.75 JAK1 (0.42) PDK4ELANEJAK1
SCHEMBL18692286 0.74 GRM1 (0.47) GRM5GRM1PDK4CFTRJAK1
SCHEMBL16112803 0.74 PDK4 (0.61) GRM5GRM1PDK4MEN1KMT2A
SCHEMBL28514156 0.74 GRM1 (0.49) GRM5GRM1PDK4CFTRJAK1
SCHEMBL18694310 0.74 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 3 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-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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