SCHEMBL3866972

SCHEMBL3866972

N#Cc1cnn(-c2ccc(-n3cccc3)cc2)c1N

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
KDM4E B2RXH2 2/20 0.68
MEN1 O00255 1/20 0.68
XDH P47989 2/20 0.61
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTGS2 P35354 2/20 0.38
MAPK14 Q16539 2/20 0.38
MAPT P10636 1/20 0.38
PTGS1 P23219 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
GLA P06280 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL60939 0.83 KMT2A (0.71) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL3876365 0.82 KMT2A (0.73) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL4700651 0.81 KMT2A (0.71) KMT2AKDM4EMEN1XDHLMNA
SCHEMBL3871259 0.81 KMT2A (1.00) KMT2AKDM4EMEN1XDHPTGS2
SCHEMBL1143771 0.81 KMT2A (0.71) KMT2AKDM4EMEN1XDHLMNA
SCHEMBL1456317 0.81 KMT2A (0.71) KMT2AKDM4EMEN1XDHLMNA
SCHEMBL3873109 0.81 KMT2A (0.67) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL6071143 0.79 KMT2A (0.69) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL3871978 0.78 KMT2A (0.62) KMT2AKDM4EMEN1XDHALDH1A1
SCHEMBL31734506 0.77 KMT2A (0.66) KMT2AKDM4EMEN1XDHALDH1A1

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 4 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
EP-1827444-A2 MNK1 OR MNK2 INHIBITORS DeveloGen Aktiengesellschaft (DE) 2007-09-05 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 877/4885KDM4E 2821/4885MEN1 703/4885

“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.