SCHEMBL2931771

SCHEMBL2931771

COc1ccc(C(=O)N(C)C2CCN(C)C2)cc1Nc1cncc(-c2cc3ccccc3o2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
PIM3 Q86V86 2/20 0.38
MCHR1 Q99705 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK10 P53779 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BRAF P15056 2/20 0.37
EIF4E P06730 2/20 0.37
KCNH2 Q12809 2/20 0.37
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
SMO Q99835 1/20 0.37
DNMT1 P26358 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36

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 SCHEMBL2927211 0.95 BRAF (0.39) HRH3PIM3MCHR1MEN1KMT2A
SCHEMBL2931485 0.95 IGF1R (0.40) HRH3MCHR1BRAFEIF4EKCNH2
Trifluoroacetic Acid SCHEMBL2934144 0.90 PTK2 (0.39) HRH3IGF1REGFRTTK
SCHEMBL13515293 0.83 PIM3 (0.49) HRH3PIM3MCHR1BRAFIGF1R
SCHEMBL2925792 0.80 PIM3 (0.55) PIM3MEN1KMT2AKDM4EUSP2
Trifluoroacetic Acid SCHEMBL2970750 0.79 PIM3 (0.46) HRH3PIM3MCHR1BRAFIGF1R
SCHEMBL2932619 0.79 TTK (0.46) HRH3MCHR1BRAFIGF1RTTK
SCHEMBL2970753 0.79 PIM3 (0.48) PIM3MCHR1BRAFIGF1R
SCHEMBL2931441 0.78 BRAF (0.46) HRH3PIM3MCHR1BRAFIGF1R
SCHEMBL2935300 0.77 MCHR1 (0.45) HRH3MCHR1IGF1RTTK

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 9 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-1730089-B1 GROUT ADMIXTURES FOR USE AT PRE-STRESSED CONCRETE CONSTRUCTION CONSTR RES & TECH GMBH (DE) 2010-08-04 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
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 HRH3 936/4885PIM3 2131/4885MCHR1 1686/4885

“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.