SCHEMBL18879079

SCHEMBL18879079

Nc1nc(N)n2ccnc2n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.38
KLK7 P49862 1/20 0.34
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 4/20 0.32
GLA P06280 2/20 0.32
GAA P10253 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NUDT1 P36639 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL18879078 0.75 FLT3 (0.33) PKMTSHR
SCHEMBL20272431 0.65 NUDT1 (0.40) KDM4EALDH1A1GLAGAARAB9A
SCHEMBL4613160 0.64 PARP1 (0.35) TSHRKDM4EALDH1A1GLANUDT1
SCHEMBL18879011 0.62 PKM (0.41) KLK7PKMTSHRKDM4EALDH1A1
SCHEMBL5420423 0.62 ALDH1A1 (0.44) ADORA2APKMTSHRKDM4EALDH1A1
SCHEMBL23889345 0.61 ADORA2A (0.37) ADORA2A
SCHEMBL19742578 0.61 MAP2K1 (0.34)
SCHEMBL4951451 0.61 NUDT1 (0.31) ADORA2ANUDT1
SCHEMBL259043 0.60 KDM4E (0.50) PKMKDM4EALDH1A1GAARAB9A
SCHEMBL858832 0.60 MAP4K4 (0.46) PKMTSHRKDM4EALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS EFFECTOR THERAPEUTICS, INC. 2017-05-25 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-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS MAP3K9, MAP3K19, MAP3K20 ADORA2A 1285/4885KLK7 632/4885PKM 417/4885

“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.