SCHEMBL12965665

SCHEMBL12965665

COc1ccc(Cn2nc(C)c3cc(-c4cncc(NC5CCN(CCO)CC5)n4)cnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.39
▸ EGFR P00533 4/20 0.38
▸ BTK Q06187 3/20 0.38
▸ ACHE P22303 4/20 0.38
▸ BACE1 P56817 1/20 0.37
▸ MCHR1 Q99705 2/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ MAP3K11 Q16584 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ DYRK1A Q13627 3/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ KCNH2 Q12809 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MLNR O43193 1/20 0.35
▸ CACNA1F O60840 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
SCHEMBL14877359 0.92 DYRK1A (0.41) ROCK2EGFRBTKACHEJAK2
SCHEMBL14877312 0.89 ROCK2 (0.40) ROCK2EGFRBTKJAK2JAK1
SCHEMBL12828793 0.88 DYRK1A (0.44) ROCK2EGFRBTKACHEJAK2
SCHEMBL12965891 0.84 CFTR (0.39) ROCK2MAP3K11MEN1USP2TP53
SCHEMBL14887012 0.83 BRD4 (0.42) EGFRBTKSYKDYRK1ACLK2
SCHEMBL12821547 0.82 CCNT1 (0.42) ROCK2ACHEBACE1JAK2JAK1
SCHEMBL12965645 0.81 DYRK1A (0.46) ACHEJAK1DYRK1ACLK2CLK3
SCHEMBL12965670 0.79 MET (0.40) MCHR1CNR2MEN1USP2LMNA
SCHEMBL12965644 0.77 MAP3K11 (0.42) MAP3K11KCNH2HTR1ASIGMAR1
SCHEMBL14877251 0.76 PIM1 (0.54) —

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9962382-B2 Substituted 5-(pyrazin-2-yl)-1H-pyrazolo [3, 4-b] pyridine and pyrazolo [3, 4-b] pyridine derivatives as protein kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2018-05-08 — — US disclosed
US-9669028-B2 Substituted 5-(pyrazin-2-yl)-1H-pyrazolo [3, 4-B] pyridine and pyrazolo [3, 4-B] pyridine derivatives as protein kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2017-06-06 — — US disclosed
US-20160074395-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2016-03-17 — — US disclosed
US-20160060261-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ARRIEN PHARMACEUTICALS LLC 2016-03-03 — — US disclosed
US-9187473-B2 Substituted 5-(pyrazin-2-yl)-1H-pyrazolo [3, 4-b] pyridine and pyrazolo [3, 4-b] pyridine derivatives as protein kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2015-11-17 — — US disclosed
US-20140309211-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2014-10-16 — — US disclosed
US-8791112-B2 Substituted 5-(pyrazin-2-yl)-1H-pyrazolo [3, 4-B] pyridine and pyrazolo [3, 4-B] pyridine derivatives as protein kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2014-07-29 — — US disclosed
US-20130102586-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2013-04-25 — — US disclosed
WO-2012135631-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ARRIEN PHARMAEUTICALS LLC (US) 2012-10-04 — — 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 (4 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-20160060261-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K9, MAP3K19, MAP4K2 ROCK2 1838/4885EGFR 536/4885BTK 291/4885
US-20160074395-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K9, MAP3K19, MAP4K2 ROCK2 1838/4885EGFR 536/4885BTK 291/4885
US-20140309211-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K9, MAP3K19, MAP4K2 ROCK2 1838/4885EGFR 536/4885BTK 291/4885
US-20130102586-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K9, MAP3K19, MAP4K2 ROCK2 1838/4885EGFR 536/4885BTK 291/4885

“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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