SCHEMBL2930788

SCHEMBL2930788

COc1cc(C(=O)N2CCN(C)CC2)ccc1Nc1cncc(-c2cc3ccccc3[nH]2)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.50
NUAK1 O60285 1/20 0.48
BRD4 O60885 2/20 0.47
BRDT Q58F21 2/20 0.47
DYRK1A Q13627 2/20 0.47
LRRK2 Q5S007 3/20 0.46
MAP3K7 O43318 1/20 0.45
TTK P33981 9/20 0.45
DCLK1 O15075 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
EGFR P00533 1/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL2927025 0.97 KDR (0.47) KDRNUAK1BRD4BRDTDYRK1A
Trifluoroacetic Acid SCHEMBL2933461 0.95 DYRK1A (0.48) KDRNUAK1BRD4BRDTDYRK1A
SCHEMBL14294231 0.93 LRRK2 (0.49) LRRK2TTK
SCHEMBL2928684 0.91 LRRK2 (0.44) KDRNUAK1BRD4DYRK1ALRRK2
SCHEMBL2929459 0.91 VCP (0.45) KDRNUAK1DYRK1ALRRK2TTK
SCHEMBL2926010 0.91 LRRK2 (0.53) KDRNUAK1BRD4DYRK1ALRRK2
SCHEMBL2930665 0.91 LRRK2 (0.53) DYRK1ALRRK2
SCHEMBL2930462 0.91 DYRK1A (0.46) DYRK1ALRRK2TTK
SCHEMBL2930971 0.90 DYRK1A (0.47) KDRNUAK1BRD4BRDTDYRK1A
SCHEMBL2934905 0.88 TTK (0.46) LRRK2TTKCCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP claimed
EP-2044051-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (publ) (SE) 2009-04-08 EP claimed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US claimed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 WO claimed
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US disclosed
WO-2007147874-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (PUBL) (SE) 2007-12-27 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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 KDR 3834/4885NUAK1 65/4885BRD4 2271/4885

“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.