SCHEMBL3825643

SCHEMBL3825643

Cc1nc(N2CCC(N)C2)ccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.48
HRH3 Q9Y5N1 3/20 0.45
SYK P43405 1/20 0.43
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
MCHR1 Q99705 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
METAP2 P50579 2/20 0.39
MAP4K4 O95819 2/20 0.39
HTR3E A5X5Y0 1/20 0.38
MEN1 O00255 1/20 0.38
HTR3B O95264 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR3A P46098 1/20 0.38
KMT2A Q03164 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
SCHEMBL3825636 1.00 HRH4 (0.48) HRH4HRH3SYKPIM1PIM2
SCHEMBL3820827 0.92 CYP1A2 (0.47) HRH4HRH3PIM1PIM2NR1H2
SCHEMBL4475102 0.88 HRH3 (0.43) HRH4HRH3SYKPIM1PIM2
SCHEMBL21181747 0.80 MAP4K4 (0.48) PIM1PIM2NR1H2NR1H3METAP2
SCHEMBL4488014 0.79 PIM1 (0.48) HRH4HRH3PIM1PIM2
SCHEMBL4488018 0.79 PIM1 (0.48) HRH4HRH3PIM1PIM2
SCHEMBL17537344 0.77 ADRB2 (0.48) NR1H2NR1H3CYP1A2CYP2D6TSHR
SCHEMBL23779477 0.76 ADRB2 (0.47) NR1H2NR1H3CYP1A2CYP2D6TSHR
SCHEMBL21181781 0.76 ADRB2 (0.47) NR1H2NR1H3CYP1A2CYP2D6TSHR
SCHEMBL17537345 0.76 NR3C2 (0.47) SYKNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603899-B1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2009-08-26 EP disclosed
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 HRH4 92/4885HRH3 234/4885SYK 3087/4885

“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.