SCHEMBL2931747

SCHEMBL2931747

CCN(CC)CCNC(=O)c1ccc(Nc2cncc(-c3cc4ccccc4[nH]3)n2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK7 Q13164 1/20 0.42
IGF1R P08069 3/20 0.41
BRAF P15056 2/20 0.39
MCHR1 Q99705 2/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
ITK Q08881 1/20 0.39
TSHR P16473 1/20 0.39
MAPK10 P53779 1/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
TTK P33981 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 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
Trifluoroacetic Acid SCHEMBL2931064 0.95 TMEM97 (0.41) TMEM97SIGMAR1MAPTTP53CYP3A4
SCHEMBL2930653 0.90 TMEM97 (0.43) TMEM97SIGMAR1MAPTTP53CYP3A4
SCHEMBL2931433 0.90 IRAK4 (0.44) TP53MAPK7BRAFKMT2AITK
SCHEMBL2932561 0.89 FYN (0.48) TMEM97SIGMAR1MAPTTP53MAPK7
Trifluoroacetic Acid SCHEMBL2960848 0.86 TMEM97 (0.40) TMEM97SIGMAR1MAPTTP53CYP3A4
Trifluoroacetic Acid SCHEMBL2927742 0.85 IGF1R (0.46) MAPTTP53MAPK7IGF1R
SCHEMBL2932841 0.83 PIM3 (0.48) MAPTBRAFKMT2ATSHRCCNA2
SCHEMBL2927884 0.82 BRD4 (0.41) MAPK7IGF1RBRAFMCHR1TSHR
SCHEMBL2933933 0.82 TMEM97 (0.49) TMEM97SIGMAR1MAPTTP53CYP3A4
SCHEMBL2930885 0.82 TTK (0.45) MAPK7IGF1RBRAFITKCCNA2

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 TMEM97 2346/4885SIGMAR1 1647/4885MAPT 1652/4885

“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.