SCHEMBL2931441

SCHEMBL2931441

COc1cc(C(=O)N(C)C2CCN(C)C2)ccc1Nc1cncc(-c2ccc(O)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.46
MCHR1 Q99705 4/20 0.45
IGF1R P08069 1/20 0.45
PIM3 Q86V86 2/20 0.44
RAF1 P04049 1/20 0.43
TTK P33981 5/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
PTK2 Q05397 2/20 0.38

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
SCHEMBL13515293 0.94 PIM3 (0.49) BRAFMCHR1IGF1RPIM3RAF1
Trifluoroacetic Acid SCHEMBL2970750 0.90 PIM3 (0.46) BRAFMCHR1IGF1RPIM3RAF1
SCHEMBL2933881 0.89 MCHR1 (0.45) BRAFMCHR1TTKCCNA2CDK2
SCHEMBL13515309 0.89 MCHR1 (0.44) BRAFMCHR1IGF1RPIM3HRH3
SCHEMBL13515287 0.88 MCHR1 (0.45) BRAFMCHR1PIM3HRH3
SCHEMBL2935300 0.87 MCHR1 (0.45) MCHR1IGF1RTTKCCNA2CDK2
SCHEMBL2934782 0.86 BRAF (0.43) BRAFMCHR1PIM3RAF1
SCHEMBL2933177 0.85 BRAF (0.52) BRAFMCHR1PIM3RAF1
SCHEMBL2970753 0.84 PIM3 (0.48) BRAFMCHR1IGF1RPIM3RAF1
SCHEMBL2936774 0.84 BRAF (0.44) BRAFMCHR1HRH3

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 disclosed
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP disclosed
EP-2044051-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB (publ) (SE) 2009-04-08 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
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 BRAF 524/4885MCHR1 1686/4885IGF1R 1105/4885

“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.