SCHEMBL5455740

SCHEMBL5455740

O=C(Nc1ccc(N2CCN(C(=O)Nc3ccc(OCCO)cc3C(F)(F)F)CC2)cc1)Nc1nc(C2CC2)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.40
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
KIT P10721 2/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
RAF1 P04049 1/20 0.36
ALK Q9UM73 1/20 0.36
CCR2 P41597 1/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SCD O00767 1/20 0.36
BRAF P15056 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL5460458 0.78 P2RY1 (0.47) CCNCCDK8LMNAMAPTGAA
SCHEMBL5460110 0.77 ALK (0.43) CCNCCDK8ALKLMNAMAPT
SCHEMBL5456051 0.77 MAPT (0.49) CCNCCDK8RAF1LMNAMAPT
SCHEMBL5451314 0.75 CCNC (0.40) DGAT1CCNCCDK8RAF1LMNA
SCHEMBL5551055 0.74 BTK (0.46) ROCK2ROCK1CCR2LMNAMAPT
SCHEMBL5463418 0.73 NAMPT (0.51) CCR2LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL5459432 0.71 NPY2R (0.43) LMNAMAPTGAAHSD17B10KDM4E
SCHEMBL5466775 0.70 MAPT (0.45) LMNAMAPTGAASMN1; SMN2BRAF
SCHEMBL5462771 0.70 KDM4E (0.46) DGAT1LMNAMAPTGAASMN1; SMN2
SCHEMBL5462600 0.70 PIK3CA (0.49) CCR2MAPTSMN1; SMN2HSD17B10ALDH1A1

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-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 DGAT1 3/4885ROCK2 3618/4885ROCK1 3544/4885

“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.