SCHEMBL2931471

SCHEMBL2931471

CN(C)CCNC(=O)c1ccc(Nc2cncc(-c3ccc(O)cc3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.59
FYN P06241 6/20 0.53
BRAF P15056 3/20 0.52
CDC7 O00311 1/20 0.46
CDK19 Q9BWU1 1/20 0.46
NAMPT P43490 1/20 0.45
SRC P12931 1/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SETD7 Q8WTS6 1/20 0.43
FGFR2 P21802 1/20 0.43
RAF1 P04049 1/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
IKBKG Q9Y6K9 1/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 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
SCHEMBL2928960 0.90 ALDH1A1 (0.50) KDRFYNBRAFAURKAHDAC4
SCHEMBL2933512 0.88 KDR (0.68) KDRFYNBRAFCDC7CDK19
SCHEMBL13515288 0.84 KDR (0.56) KDRFYNBRAFCDC7CDK19
SCHEMBL14269639 0.83 PIM3 (0.55) KDRFYNBRAFRAF1
SCHEMBL2935119 0.83 FYN (0.51) KDRFYNBRAFRAF1
SCHEMBL2927120 0.82 FYN (0.62) KDRFYNBRAFCDC7CDK19
SCHEMBL2977818 0.81 BRAF (0.53) BRAFNAMPTSRCHDAC4HDAC1
SCHEMBL5000392 0.80 KDR (0.74) KDRFYNBRAFFGFR2
Trifluoroacetic Acid SCHEMBL2928813 0.80 KDR (0.51) KDRFYNCDC7CDK19SRC
SCHEMBL2927305 0.79 BRAF (0.40) KDRFYNBRAFAURKARAF1

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 7 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
CN-101472912-A Pyridine and pyrazine derivatives as MNK kinase inhibitors BIOVITRUM AB PUBL (SE) 2009-07-01 CN 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 KDR 3834/4885FYN 521/4885BRAF 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.