SCHEMBL12936367

SCHEMBL12936367

CONC(=O)C1CCN(c2nc(C(F)(F)F)nc(-c3ccc(SOOC)cc3)c2-c2ccc(F)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.39
MAPT P10636 4/20 0.37
ACHE P22303 2/20 0.35
TP53 P04637 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
KIT P10721 1/20 0.34
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33

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
SCHEMBL15082416 0.89 RXFP1 (0.41) RXFP1MAPTACHETP53PDE4A
SCHEMBL2084462 0.86 PTGS2 (0.41) RXFP1MAPTPDE4APDE4BPDE4C
SCHEMBL12936334 0.81 HRH3 (0.39) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL12936333 0.80 PDE4A (0.38) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL12936332 0.78 DRD2 (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL12936363 0.78 MAPT (0.49) MAPTMEN1KMT2A
SCHEMBL12936331 0.76 DRD2 (0.40) MAPTACHEPDE4APDE4BPDE4C
SCHEMBL14448883 0.76 PDE4A (0.44) RXFP1PDE4APDE4BPDE4CPDE4D
SCHEMBL12936336 0.76 KMT2A (0.42) MAPTTP53PDE4APDE4BPDE4C
SCHEMBL14448848 0.74 ALDH1A1 (0.40) MAPTTP53PDE4APDE4BPDE4C

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-8420653-B2 Pyrimidine compounds and their uses ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-04-16 US disclosed
US-7863446-B2 Heterocycles ORCHID RESEARCH LABORATORIES LIMITED (IN) 2011-01-04 US disclosed
US-20100329998-A1 NOVEL HETEROCYCLES ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2010-12-30 US disclosed
US-20080207606-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2008-08-28 US disclosed
US-20070167413-A1 Novel heterocycles ORCHID RESEARCH LABORATORIES LIMITED. (IN) 2007-07-19 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 (3 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-20080207606-A1 Novel heterocycles GPR4, UACA, PDE4A RXFP1 725/4885MAPT 583/4885ACHE 821/4885
US-20100329998-A1 NOVEL HETEROCYCLES UACA, GPR4, CASP4 RXFP1 1048/4885MAPT 587/4885ACHE 836/4885
US-20070167413-A1 Novel heterocycles MCL1, UACA, MYLK2 RXFP1 540/4885MAPT 128/4885ACHE 771/4885

“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.