SCHEMBL13780205

SCHEMBL13780205

Cc1nc(C)c(C(N)=O)c(N2CCOCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
NUDT1 P36639 1/20 0.44
SLC9A1 P19634 1/20 0.43
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAP2K7 O14733 1/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL3094649 0.80 KDM4E (0.63) KDM4EHTTMAPK1LMNAPOLB
SCHEMBL26249047 0.76 ADORA2A (0.34) KDM4ESLC9A1POLBSMN1; SMN2
SCHEMBL16117368 0.75 LMNA (0.49) KDM4ENUDT1MAPK1LMNAPOLB
SCHEMBL3095284 0.74 IKBKB (0.56) KDM4EHTTPOLBHSD17B10PIK3CB
SCHEMBL10126430 0.72 POLB (0.44) KDM4ELMNAPOLBHSD17B10ALDH1A1
SCHEMBL2347424 0.72 KDM4E (0.56) KDM4EHTTNUDT1SLC9A1MAPK1
SCHEMBL24710907 0.72 LMNA (0.44) MAPK1LMNAPIK3CDPIK3CA
SCHEMBL12099918 0.70 IKBKB (0.52) KDM4EHTTSLC9A1POLBHSD17B10
SCHEMBL12602972 0.69 CYP3A4 (0.44) KDM4ENUDT1MAPK1LMNAPOLB
SCHEMBL20154109 0.67 NPSR1 (0.49) KDM4ENUDT1MAPK1LMNAPOLB

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-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 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-20090182140-A1 Alicyclic Heterocyclic Compound CCR4, CCR1, HRH4 KDM4E 657/4885HTT 3925/4885NUDT1 1476/4885

“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.