SCHEMBL12965638

SCHEMBL12965638

CN1CCC(Nc2ncncc2Br)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ CYP3A4 P08684 5/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CDK1 P06493 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CCND3 P30281 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ CDK6 Q00534 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ BRD4 O60885 2/20 0.39
▸ ATAD2 Q6PL18 2/20 0.39
▸ CYP1A2 P05177 4/20 0.39
▸ CYP2D6 P10635 4/20 0.39

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
SCHEMBL25320587 0.85 CYP1A2 (0.49) CYP3A4ALOX15HSD17B10TDP1CYP1A2
SCHEMBL12813785 0.73 KAT2B (0.45) AURKAAURKBCYP3A4POLBMEN1
SCHEMBL20752400 0.72 CYP1A2 (0.36) CYP3A4ALOX15HSD17B10CYP1A2CYP2D6
SCHEMBL3511649 0.72 BRD4 (0.41) AURKAAURKBALOX15CDK1CDK4
SCHEMBL26176352 0.71 IRAK4 (0.68) CYP3A4HSD17B10POLBCYP1A2CYP2D6
SCHEMBL14980406 0.69 MALT1 (0.50) POLBBRD4ATAD2ALDH1A1
SCHEMBL31749290 0.69 HRH4 (0.46) AURKAAURKBCDK1CDK4CCNB1
SCHEMBL12965640 0.69 BRD4 (0.43) CYP3A4ALOX15HSD17B10TDP1BRD4
SCHEMBL31153172 0.68 CYP3A4 (0.48) CYP3A4ALOX15HSD17B10TDP1CYP1A2
SCHEMBL25318810 0.68 CYP3A4 (0.48) CYP3A4ALOX15HSD17B10TDP1CYP1A2

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 16 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-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-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-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-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-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-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
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 AURKA 757/4885AURKB 599/4885CYP3A4 3400/4885
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 AURKA 757/4885AURKB 599/4885CYP3A4 3400/4885
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 AURKA 757/4885AURKB 599/4885CYP3A4 3400/4885
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 AURKA 757/4885AURKB 599/4885CYP3A4 3400/4885

“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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