SCHEMBL2931433

SCHEMBL2931433

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.44
TTK P33981 1/20 0.44
ITK Q08881 2/20 0.42
BRAF P15056 2/20 0.42
METAP2 P50579 1/20 0.41
TSHR P16473 1/20 0.41
MAPK10 P53779 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MAPK7 Q13164 1/20 0.39
PIM3 Q86V86 1/20 0.39
BRD4 O60885 1/20 0.39
LRRK2 Q5S007 2/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
KMT2A Q03164 1/20 0.39
SMPD1 P17405 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 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
SCHEMBL2932561 0.91 FYN (0.48) TTKKDM4EALDH1A1HPGDMAPK7
SCHEMBL2931747 0.90 TMEM97 (0.45) TTKITKBRAFTSHRMAPK10
SCHEMBL2932841 0.87 PIM3 (0.48) TTKBRAFTSHRKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL2927742 0.86 IGF1R (0.46) KDM4EALDH1A1HPGDMAPK7LRRK2
Trifluoroacetic Acid SCHEMBL2931064 0.85 TMEM97 (0.41) ITKALDH1A1HPGDMAPK7LRRK2
SCHEMBL2927884 0.84 BRD4 (0.41) TTKBRAFTSHRALDH1A1HPGD
SCHEMBL13515292 0.83 KDR (0.53) TSHRALDH1A1HPGDBRD4LRRK2
SCHEMBL2933090 0.83 KDR (0.53) TSHRALDH1A1HPGDBRD4LRRK2
SCHEMBL2925991 0.83 KDR (0.53) TSHRALDH1A1HPGDBRD4LRRK2
Hydrochloric Acid SCHEMBL2929199 0.82 KDR (0.53) TSHRALDH1A1HPGDBRD4LRRK2

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 10 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
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
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 IRAK4 1005/4885TTK 266/4885ITK 596/4885

“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.