SCHEMBL2934437

SCHEMBL2934437

COc1cc(C(=O)N2CCN(C)CC2)ccc1Nc1cncc(-c2ccc(O)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.52
BRAF P15056 3/20 0.51
DYRK1A Q13627 2/20 0.49
LRRK2 Q5S007 5/20 0.48
PIM3 Q86V86 2/20 0.48
IGF1R P08069 1/20 0.47
RAF1 P04049 1/20 0.47
MAP3K7 O43318 1/20 0.47
NUAK1 O60285 1/20 0.46
BRD4 O60885 1/20 0.45
BRDT Q58F21 1/20 0.45
EGFR P00533 1/20 0.45

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
SCHEMBL13515311 0.93 PIM3 (0.54) TTKBRAFDYRK1ALRRK2PIM3
Trifluoroacetic Acid SCHEMBL2933929 0.87 PIM3 (0.51) TTKBRAFDYRK1APIM3RAF1
SCHEMBL2932525 0.87 LRRK2 (0.46) TTKBRAFLRRK2
SCHEMBL13515277 0.86 FASN (0.50) BRAFPIM3
SCHEMBL13515300 0.85 MKNK1 (0.46) BRAF
SCHEMBL2933572 0.83 PIM3 (0.63) BRAFLRRK2PIM3RAF1
SCHEMBL2933931 0.81 PIM3 (0.53) TTKBRAFDYRK1APIM3RAF1
SCHEMBL2931418 0.81 SRC (0.49) BRAFDYRK1AIGF1R
SCHEMBL2930788 0.81 KDR (0.50) TTKDYRK1ALRRK2MAP3K7NUAK1
Trifluoroacetic Acid SCHEMBL2931457 0.81 FASN (0.46) DYRK1APIM3

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 TTK 266/4885BRAF 524/4885DYRK1A 498/4885

“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.