SCHEMBL2935119

SCHEMBL2935119

COc1cc(C(=O)NCCN(C)C)ccc1Nc1cncc(-c2ccc(O)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.51
KDR P35968 1/20 0.51
BRAF P15056 4/20 0.50
PIM3 Q86V86 2/20 0.49
MAPK7 Q13164 1/20 0.48
RAF1 P04049 1/20 0.46
IGF1R P08069 4/20 0.46
BRD4 O60885 1/20 0.45
PLK1 P53350 1/20 0.45
BRDT Q58F21 1/20 0.45
DAPK1 P53355 1/20 0.45
GRK5 P34947 1/20 0.43
ALK Q9UM73 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
SCHEMBL2933545 0.95 FYN (0.59) FYNKDRBRAFPIM3MAPK7
SCHEMBL14269639 0.93 PIM3 (0.55) FYNKDRBRAFPIM3RAF1
SCHEMBL2933933 0.91 TMEM97 (0.49) FYNKDRBRAFPIM3RAF1
SCHEMBL13515278 0.88 FYN (0.59) FYNKDRBRAFPIM3RAF1
Trifluoroacetic Acid SCHEMBL2933649 0.88 PIM3 (0.52) FYNKDRBRAFPIM3RAF1
SCHEMBL13515288 0.85 KDR (0.56) FYNKDRBRAFPIM3
SCHEMBL2926093 0.84 IGF1R (0.50) BRAFPIM3RAF1IGF1RALK
SCHEMBL13515297 0.84 PIM3 (0.54) FYNKDRBRAFPIM3RAF1
SCHEMBL2933758 0.83 KDR (0.49) FYNKDRBRAFPIM3RAF1
SCHEMBL2931471 0.83 KDR (0.59) FYNKDRBRAFRAF1

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 6 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
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 FYN 521/4885KDR 3834/4885BRAF 524/4885

“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.