SCHEMBL4513140

SCHEMBL4513140

COc1ccc(C(F)(F)F)c(N2CCC(N)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.42
KIT P10721 2/20 0.42
KDM1A O60341 1/20 0.39
KCNH2 Q12809 1/20 0.38
AKT2 P31751 3/20 0.37
RPS6KB1 P23443 1/20 0.37
AKT1 P31749 1/20 0.37
AKT3 Q9Y243 1/20 0.37
C5AR1 P21730 1/20 0.36
IDH2 P48735 1/20 0.36
HCRTR2 O43614 1/20 0.36
GRM2 Q14416 1/20 0.36
GSK3B P49841 2/20 0.35
PRKCA P17252 1/20 0.35
PRKCQ Q04759 1/20 0.35
SCD O00767 1/20 0.35
RBP4 P02753 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 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
SCHEMBL4490992 0.79 HTR3E (0.43) KITKDM1AAKT2GSK3BMALT1
SCHEMBL3821296 0.76 HTR3E (0.43) FLT3KITKDM1AC5AR1IDH2
SCHEMBL4488018 0.75 PIM1 (0.48) FLT3KITKDM1AAKT1RBP4
SCHEMBL4488014 0.75 PIM1 (0.48) FLT3KITKDM1AAKT1RBP4
Hydrochloric Acid SCHEMBL5220902 0.73 TXNRD1 (0.49)
SCHEMBL1349136 0.71 EPHX2 (0.64) FLT3GSK3BPRKCAPRKCQRBP4
SCHEMBL4494296 0.71 AKT1 (0.43) AKT1PIM1PIM2HTR3EMEN1
SCHEMBL4494286 0.71 AKT1 (0.43) AKT1PIM1PIM2HTR3EMEN1
SCHEMBL3820827 0.70 CYP1A2 (0.47) FLT3KITKDM1AIDH2GSK3B
SCHEMBL3826847 0.70 HTR3E (0.60) C5AR1PRKCQPIM1PIM2HTR3E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 US disclosed
EP-1603899-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
WO-2004078749-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-09-16 WO disclosed
WO-2004024710-A1 UREA COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-03-25 WO 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-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain U2SURP, UMPS, SFPQ FLT3 1444/4885KIT 1377/4885KDM1A 2243/4885

“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.