SCHEMBL12814012

SCHEMBL12814012

COc1ccc(Cn2nc(C)c3cc(-c4cccc(NC5CCN(C)CC5)c4)cnc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 3/20 0.42
▸ TLR9 Q9NR96 2/20 0.42
▸ MAP3K11 Q16584 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ROCK2 O75116 4/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ CCR2 P41597 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ AKR1C3 P42330 5/20 0.38
▸ PDE1B Q01064 2/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ CNR2 P34972 1/20 0.37

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
SCHEMBL12821547 0.85 CCNT1 (0.42) MAP3K11KDM4EALDH1A1HTTROCK2
SCHEMBL12965639 0.82 JAK2 (0.44) MAP3K11ALDH1A1ROCK2JAK2PDE1B
SCHEMBL14877359 0.82 DYRK1A (0.41) MAP3K11ROCK2JAK2PDE1BJAK1
SCHEMBL12965946 0.82 MAP3K11 (0.52) TLR7MAP3K11PDE1B
SCHEMBL12965671 0.80 AKR1C3 (0.50) KDM4EALDH1A1AKR1C3
SCHEMBL12821740 0.79 KMT2A (0.50) ALDH1A1GRIN1GRIN2BPDE1BCNR2
SCHEMBL18921930 0.79 HTR6 (0.41) TLR7TLR9KDM4E
SCHEMBL14876967 0.78 MAP3K11 (0.39) MAP3K11KDM4EALDH1A1HTTROCK2
SCHEMBL14877312 0.78 ROCK2 (0.40) TLR7MAP3K11ROCK2JAK2CCR2
SCHEMBL12965678 0.78 CYP1A2 (0.45) ALDH1A1GRIN1GRIN2BPDE1BCNR2

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 TLR7 3073/4885TLR9 3329/4885MAP3K11 14/4885
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 TLR7 3073/4885TLR9 3329/4885MAP3K11 14/4885
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 TLR7 3073/4885TLR9 3329/4885MAP3K11 14/4885
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 TLR7 3073/4885TLR9 3329/4885MAP3K11 14/4885

“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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