SCHEMBL1640833

SCHEMBL1640833

c1cc(-c2cncc(Nc3ccc4scnc4c3)n2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 12/20 0.52
▸ BRAF P15056 1/20 0.49
▸ AURKA O14965 1/20 0.47
▸ KDR P35968 5/20 0.42
▸ EGFR P00533 1/20 0.42
▸ TGFBR1 P36897 1/20 0.42
▸ RIPK3 Q9Y572 6/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ RIPK1 Q13546 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ CDK1 P06493 1/20 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
SCHEMBL1642752 0.81 KMT2A (0.66) BRAFKDRKMT2A
SCHEMBL1642722 0.80 CDK2 (0.50) RIPK2KDREGFRTGFBR1RIPK3
SCHEMBL22201641 0.74 RIPK2 (0.55) RIPK2AURKAKDREGFRTGFBR1
SCHEMBL13663570 0.73 JAK2 (0.46) RIPK2AURKAKDREGFRRIPK3
SCHEMBL1122025 0.70 KDR (0.70) BRAFKDREGFRCDK1
SCHEMBL1641665 0.70 FGFR2 (0.64) BRAFKDREGFRCDK1
SCHEMBL1642824 0.70 FGFR2 (0.52) BRAFKDRCDK1
SCHEMBL22201674 0.70 HPGD (0.64) TGFBR1KMT2A
SCHEMBL1013777 0.68 TRPV1 (0.63) RIPK2RIPK3
SCHEMBL31514560 0.68 RIPK2 (0.83) RIPK2KDREGFRTGFBR1RIPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2671876-A2 Pyrazine derivatives and their use as protein kinase inhbitors Akinion Pharmaceuticals AB (SE) 2013-12-11 — — EP claimed
US-20130203774-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF AKINION PHARMACEUTICALS AB (SE) 2013-08-08 — — US claimed
CN-101970418-B Pyrazine derivative and its uses as protein kinase inhibitor AKINION PHARMACEUTICALS AB 2013-07-03 — — CN claimed
US-20110098310-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF BIOVITRUM AB (SE) 2011-04-28 — — US claimed
CN-101970418-A Novel compounds, use and preparation thereof AKINION PHARMACEUTICALS AB 2011-02-09 — — CN claimed
EP-2671876-A2 Pyrazine derivatives and their use as protein kinase inhbitors Akinion Pharmaceuticals AB (SE) 2013-12-11 — — EP disclosed
US-20130203774-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF AKINION PHARMACEUTICALS AB (SE) 2013-08-08 — — US disclosed
US-20130203774-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF AKINION PHARMACEUTICALS AB (SE) 2013-08-08 — — US disclosed
US-20130203774-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF AKINION PHARMACEUTICALS AB (SE) 2013-08-08 — — US disclosed
CN-101970418-B Pyrazine derivative and its uses as protein kinase inhibitor AKINION PHARMACEUTICALS AB 2013-07-03 — — CN disclosed
US-8436171-B2 Amino substituted pyrazines as inhibitors or protein kinases AKINION PHARMACEUTICALS AB (SE) 2013-05-07 — — US disclosed
US-8436171-B2 Amino substituted pyrazines as inhibitors or protein kinases AKINION PHARMACEUTICALS AB (SE) 2013-05-07 — — US disclosed
US-8436171-B2 Amino substituted pyrazines as inhibitors or protein kinases AKINION PHARMACEUTICALS AB (SE) 2013-05-07 — — US disclosed
US-20110098310-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF BIOVITRUM AB (SE) 2011-04-28 — — US disclosed
US-20110098310-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF BIOVITRUM AB (SE) 2011-04-28 — — US disclosed
US-20110098310-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF BIOVITRUM AB (SE) 2011-04-28 — — US disclosed
CN-101970418-A Novel compounds, use and preparation thereof AKINION PHARMACEUTICALS AB 2011-02-09 — — CN disclosed
EP-2252597-A2 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF Akinion Pharmaceuticals AB (SE) 2010-11-24 — — EP disclosed
WO-2009095399-A2 PYRAZINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHBITORS AKINION PHARMACEUTICALS AB (SE) 2009-08-06 — — 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 (2 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-20130203774-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF FLT3, MLLT1, MYD88 RIPK2 727/4885BRAF 12/4885AURKA 314/4885
US-20110098310-A1 NOVEL COMPOUNDS, USE AND PREPARATION THEREOF FLT3, MLLT1, MYD88 RIPK2 727/4885BRAF 12/4885AURKA 314/4885

“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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