SCHEMBL4158596

SCHEMBL4158596

Nc1nsc2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.50
LIMK1 P53667 4/20 0.46
CDC7 O00311 1/20 0.46
CLK1 P49759 1/20 0.46
DBF4 Q9UBU7 1/20 0.46
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 0.42
NR4A2 P43354 1/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
HSP90AA1 P07900 3/20 0.38
HSP90AB1 P08238 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4884908 0.75 LIMK1 (0.39) MAPTKDM4EALDH1A1HSD17B10LIMK1
SCHEMBL492415 0.75 NPC1 (0.43) MAPTKDM4ELIMK1CDC7CLK1
SCHEMBL2976564 0.75 KAT2B (0.39) MAPTKDM4EALDH1A1LIMK1CDC7
SCHEMBL4895675 0.75 KAT2B (0.39) MAPTKDM4EALDH1A1LIMK1CDC7
SCHEMBL24835668 0.71 GRM4 (0.43) MAPTKDM4EALDH1A1HSP90AA1KAT2B
SCHEMBL493004 0.71 L3MBTL1 (0.46) MAPTKDM4EALDH1A1LIMK1CDC7
SCHEMBL18879061 0.71 CYP2A6 (0.36) MAPTKDM4EALDH1A1HSD17B10LIMK1
SCHEMBL492512 0.71 KDM4E (0.34) MAPTKDM4EALDH1A1LIMK1CDC7
SCHEMBL12603987 0.71 GRM4 (0.40) MAPTKDM4ELIMK1CDC7CLK1
SCHEMBL18238076 0.71 NPC1 (0.35) MAPTKDM4ELIMK1CDC7CLK1

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-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS EFFECTOR THERAPEUTICS, INC. 2017-05-25 US disclosed
EP-1915344-B1 CYANOPYRIDINE PESTICIDES BASF SE (DE) 2009-07-01 EP 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 MAPT 2303/4885KDM4E 1316/4885ALDH1A1 4542/4885

“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.