SCHEMBL3879537

SCHEMBL3879537

COC(=O)c1cccc(-n2ncc(C#N)c2N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
XDH P47989 2/20 0.56
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TP53 P04637 1/20 0.46
F2 P00734 1/20 0.46
LMNA P02545 1/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 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
SCHEMBL8046909 0.87 KMT2A (0.61) KMT2AXDHKDM4ETP53ATM
SCHEMBL1613646 0.85 XDH (0.71) KMT2AXDHKDM4EMEN1GLA
SCHEMBL544885 0.80 KMT2A (0.71) KMT2AXDHKDM4EMEN1GLA
SCHEMBL30120645 0.80 KMT2A (0.71) KMT2AXDHKDM4EMEN1GLA
SCHEMBL8040547 0.79 XDH (0.52) KMT2AXDHKDM4EMEN1GLA
SCHEMBL12795376 0.79 KMT2A (0.62) KMT2AXDHKDM4EMEN1LMNA
SCHEMBL1143393 0.77 KMT2A (0.70) KMT2AXDHKDM4EMEN1GLA
SCHEMBL6205563 0.77 KMT2A (1.00) KMT2AXDHKDM4EMEN1GLA
SCHEMBL303757 0.77 CCR1 (0.55) KMT2AMEN1RXFP1TP53LMNA
SCHEMBL12795372 0.76 KMT2A (0.74) KMT2AXDHKDM4EMEN1GLA

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-1827444-B1 MNK1 OR MNK2 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-05-15 EP disclosed
US-20090163520-A1 MNK1 or MNK2 Inhibitors DEVELOGEN AKTIENGESELLSCHAFT (DE) 2009-06-25 US disclosed
US-20090163520-A1 MNK1 or MNK2 Inhibitors DEVELOGEN AKTIENGESELLSCHAFT (DE) 2009-06-25 US disclosed
EP-1827444-A2 MNK1 OR MNK2 INHIBITORS DeveloGen Aktiengesellschaft (DE) 2007-09-05 EP disclosed
EP-1746099-A1 Mnk1 or Mnk2 inhibitors DeveloGen Aktiengesellschaft (DE) 2007-01-24 EP disclosed
EP-1746099-A1 Mnk1 or Mnk2 inhibitors DeveloGen Aktiengesellschaft (DE) 2007-01-24 EP disclosed
WO-2006066937-A2 MNK1 OR MNK2 INHIBITORS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-06-29 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-20090163520-A1 MNK1 or MNK2 Inhibitors NEK9, CMPK1, NEK2 KMT2A 877/4885XDH 2018/4885KDM4E 2821/4885

“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.