SCHEMBL13790293

SCHEMBL13790293

Nc1ncnc2c1cnn2-c1ccc2ccccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
KDM4E B2RXH2 3/20 0.69
PI4KA P42356 3/20 0.69
PI4K2B Q8TCG2 3/20 0.69
PI4K2A Q9BTU6 3/20 0.69
PI4KB Q9UBF8 3/20 0.69
HSD17B10 Q99714 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2C19 P33261 2/20 0.69
EGFR P00533 2/20 0.69
MEN1 O00255 1/20 0.69
TSHR P16473 1/20 0.69
KMT2A Q03164 1/20 0.69
RAB9A P51151 4/20 0.64
NPC1 O15118 2/20 0.64
HTT P42858 2/20 0.64
BLM P54132 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
XDH P47989 7/20 0.62
SMN1; SMN2 Q16637 3/20 0.49

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
SCHEMBL2278510 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EPI4KAPI4K2BPI4K2A
SCHEMBL29589484 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EPI4KAPI4K2BPI4K2A
SCHEMBL13790364 0.80 KDM4E (0.72) ALDH1A1KDM4EPI4KAPI4K2BPI4K2A
SCHEMBL3868865 0.80 KDM4E (0.75) ALDH1A1KDM4EPI4KAPI4K2BPI4K2A
SCHEMBL3879788 0.80 KDM4E (0.76) ALDH1A1KDM4EPI4KAPI4K2BPI4K2A
SCHEMBL30478968 0.80 KDM4E (0.76) ALDH1A1KDM4EPI4KAPI4K2BPI4K2A
SCHEMBL3867774 0.79 XDH (0.77) ALDH1A1KDM4EPI4KAPI4K2BPI4K2A
SCHEMBL29862834 0.79 XDH (0.77) ALDH1A1KDM4EPI4KAPI4K2BPI4K2A
SCHEMBL14944448 0.79 XDH (0.60) ALDH1A1KDM4EPI4KAPI4K2BPI4K2A
SCHEMBL13790449 0.79 XDH (0.56) ALDH1A1KDM4EPI4KAPI4K2BPI4K2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALDH1A1 4448/4885KDM4E 2821/4885PI4KA 292/4885

“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.