SCHEMBL2927768

SCHEMBL2927768

CN1CCCN(C(=O)c2ccc(Nc3cncc(-c4cc5cc(F)ccc5[nH]4)c3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.49
RIPK1 Q13546 1/20 0.44
EPHX2 P34913 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
NTRK1 P04629 2/20 0.43
TLR9 Q9NR96 2/20 0.43
TLR8 Q9NR97 2/20 0.43
TLR7 Q9NYK1 2/20 0.43
CDK2 P24941 2/20 0.43
CDK1 P06493 1/20 0.43
KDR P35968 1/20 0.43
VCP P55072 1/20 0.42
GRM5 P41594 1/20 0.41
CCNT1 O60563 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK9 P50750 1/20 0.41
SYK P43405 1/20 0.41
HPGD P15428 1/20 0.41

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 SCHEMBL2931649 0.95 HRH4 (0.45) HRH4RIPK1EPHX2HRH3NTRK1
SCHEMBL13515296 0.88 TLR9 (0.44) HRH4HRH3TLR9TLR8TLR7
SCHEMBL2930138 0.87 MKNK2 (0.47) RIPK1NTRK1KDR
SCHEMBL2934326 0.85 RIPK1 (0.54) HRH4RIPK1KDRVCPHPGD
SCHEMBL2933705 0.80 XDH (0.48) HPGD
SCHEMBL2931673 0.79 MAP2K4 (0.43) HPGD
SCHEMBL2927051 0.79 HRH4 (0.56) HRH4RIPK1EPHX2KDRVCP
SCHEMBL2927033 0.78 GRM5 (0.49) RIPK1KDRGRM5
SCHEMBL2934227 0.77 DYRK2 (0.45) HRH4RIPK1NTRK1KDRVCP
SCHEMBL13515299 0.73 KDR (0.50) HRH4RIPK1CDK2KDRVCP

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 4 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

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 HRH4 1833/4885RIPK1 592/4885EPHX2 3716/4885

“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.