SCHEMBL3876328

SCHEMBL3876328

Nc1ncnc2c1cnn2-c1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.66
ALDH1A1 P00352 4/20 0.66
HSD17B10 Q99714 3/20 0.66
PI4KA P42356 2/20 0.66
PI4K2B Q8TCG2 2/20 0.66
PI4K2A Q9BTU6 2/20 0.66
PI4KB Q9UBF8 2/20 0.66
CYP1A2 P05177 2/20 0.66
MEN1 O00255 1/20 0.66
EGFR P00533 1/20 0.66
TSHR P16473 1/20 0.66
CYP2C19 P33261 1/20 0.66
KMT2A Q03164 1/20 0.66
CYP17A1 P05093 2/20 0.64
XDH P47989 7/20 0.55
HTT P42858 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
BLM P54132 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL6071403 0.82 GSK3B (0.52) KDM4EALDH1A1HSD17B10PI4KAPI4K2B
SCHEMBL840321 0.82 GSK3B (0.52) KDM4EALDH1A1HSD17B10PI4KAPI4K2B
SCHEMBL3869860 0.82 KDM4E (0.57) KDM4EALDH1A1HSD17B10PI4KAPI4K2B
SCHEMBL6071614 0.81 ALDH1A1 (0.68) KDM4EALDH1A1HSD17B10MEN1TSHR
SCHEMBL3874267 0.81 KDM4E (0.64) KDM4EALDH1A1HSD17B10PI4KAPI4K2B
SCHEMBL2278510 0.80 ALDH1A1 (1.00) KDM4EALDH1A1HSD17B10PI4KAPI4K2B
SCHEMBL29589484 0.80 ALDH1A1 (1.00) KDM4EALDH1A1HSD17B10PI4KAPI4K2B
SCHEMBL10187548 0.79 CYP17A1 (1.00) KDM4EALDH1A1HSD17B10PI4KAPI4K2B
SCHEMBL3873113 0.78 PI4KA (0.61) KDM4EALDH1A1HSD17B10PI4KAPI4K2B
SCHEMBL3874246 0.76 KDM4E (0.57) KDM4EALDH1A1HSD17B10PI4KAPI4K2B

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 claimed
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
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 KDM4E 2821/4885ALDH1A1 4448/4885HSD17B10 3021/4885

“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.