SCHEMBL10309072

SCHEMBL10309072

Cn1c2c(c(=N)c3ccccc31)CCC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
RAB9A P51151 5/20 0.64
NPC1 O15118 3/20 0.62
PABPC1 P11940 2/20 0.62
PKM P14618 1/20 0.62
ATM Q13315 1/20 0.62
APOBEC3A P31941 1/20 0.60
APOBEC3G Q9HC16 1/20 0.60
HTT P42858 3/20 0.59
ALDH1A1 P00352 2/20 0.59
NTSR1 P30989 1/20 0.59
NLRP3 Q96P20 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
LMNA P02545 3/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL844491 0.86 HTR2A (0.67) KDM4ERAB9AALDH1A1MEN1KMT2A
SCHEMBL30223611 0.82 HTR2A (0.67) KDM4EALDH1A1MEN1KMT2AHTR2A
SCHEMBL3927394 0.82 HTR2A (0.67) KDM4EALDH1A1MEN1KMT2AHTR2A
SCHEMBL15307679 0.81 HTR2A (0.65) KDM4EALDH1A1MEN1KMT2AHTR2A
SCHEMBL14564006 0.80 RAB9A (0.82) KDM4ERAB9ANPC1PABPC1PKM
SCHEMBL14564019 0.78 RAB9A (0.97) KDM4ERAB9ANPC1PABPC1PKM
SCHEMBL21311802 0.78 HTR2A (0.53) KDM4EATMHTTALDH1A1HTR2A
SCHEMBL8791910 0.78 HTR2A (0.56) KDM4ERAB9ANPC1PABPC1PKM
SCHEMBL14564012 0.77 RAB9A (0.97) KDM4ERAB9ANPC1PABPC1PKM
SCHEMBL10309049 0.73 RAB9A (0.59) KDM4ERAB9ANPC1PABPC1ATM

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-20120178769-A1 NOVEL COMPOUNDS FOR INHIBITING EEF-2 KINASE ACTIVITY THE UNIVERSITY OF MEDICINE AND DENTISTRY (US) 2012-07-12 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-20120178769-A1 NOVEL COMPOUNDS FOR INHIBITING EEF-2 KINASE ACTIVITY EEF2K, EEF2, EEF1B2 KDM4E 1026/4885RAB9A 1227/4885NPC1 3212/4885

“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.