SCHEMBL4488014

SCHEMBL4488014

Cc1ccc(C(F)(F)F)c(N2CC[C@@H](N)C2)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.48
PIM2 Q9P1W9 1/20 0.48
AKT1 P31749 2/20 0.41
HRH4 Q9H3N8 5/20 0.40
PDE2A O00408 1/20 0.40
CYP2C19 P33261 1/20 0.39
PIK3CA P42336 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
FLT3 P36888 3/20 0.39
KIT P10721 1/20 0.39
KDM1A O60341 1/20 0.38
RBP4 P02753 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
JAK3 P52333 1/20 0.38
PRKCI P41743 1/20 0.38
MAT2A P31153 1/20 0.38

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
SCHEMBL4488018 1.00 PIM1 (0.48) PIM1PIM2AKT1HRH4PDE2A
SCHEMBL3825643 0.79 HRH4 (0.48) PIM1PIM2HRH4HRH3
SCHEMBL3825636 0.79 HRH4 (0.48) PIM1PIM2HRH4HRH3
SCHEMBL3818669 0.77 EPHX2 (0.57) TRPV1RBP4HRH3
SCHEMBL3818667 0.77 EPHX2 (0.57) TRPV1RBP4HRH3
SCHEMBL4513140 0.75 FLT3 (0.42) PIM1PIM2AKT1FLT3KIT
SCHEMBL18529033 0.73 NOTUM (0.47) PIM1PIM2HRH4CYP2C19PIK3CA
SCHEMBL3820827 0.72 CYP1A2 (0.47) PIM1PIM2HRH4CYP2C19FLT3
SCHEMBL3827249 0.70 HRH4 (0.51) HRH4HRH3
SCHEMBL3827250 0.70 HRH4 (0.51) HRH4HRH3

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 3 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
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 PIM1 2920/4885PIM2 2984/4885AKT1 3958/4885

“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.