SCHEMBL10293301

SCHEMBL10293301

c1cc2c(nc1NCC1CCCCC1)NCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CDC7 O00311 2/20 0.39
GPR39 O43194 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRM4 Q14833 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.37
UTS2R Q9UKP6 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
CCNT1 O60563 2/20 0.36
AOC1 P19801 1/20 0.36
AOC3 Q16853 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
APP P05067 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
ASPH Q12797 1/20 0.35
KDM8 Q8N371 1/20 0.35

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
SCHEMBL8386400 0.71 ACHE (0.47) MEN1KMT2AKDM4ETSHRMAP4K4
SCHEMBL5373708 0.71 ITGAV (0.39) ITGB3ITGAV
SCHEMBL14221971 0.71 JAK2 (0.39) ITGB3ITGAV
SCHEMBL415511 0.70 MEN1 (0.43) MEN1KMT2ACDC7GPR39KDM4E
SCHEMBL12960047 0.69 KDM4E (0.46) MEN1KMT2AGPR39KDM4ECCNT1
SCHEMBL12132003 0.69 KDM4E (0.44) MEN1KMT2AKDM4EAPPHRH4
SCHEMBL12204107 0.69 SMN1; SMN2 (0.39) CDC7GRM4UTS2RKDM4CHRH4
SCHEMBL10293038 0.69 NPC1 (0.55) MEN1KMT2AKDM4ETSHRHSD17B10
SCHEMBL14488166 0.68 GPR39 (0.44) MEN1KMT2ACDC7GPR39GRM4
SCHEMBL8390811 0.68 PIM1 (0.44)

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-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-03-01 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-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MEN1 1452/4885KMT2A 1133/4885CDC7 161/4885

“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.