SCHEMBL4170836

SCHEMBL4170836

CONC(=O)c1cc2c(C(=O)N3CCC[C@H]3CO)cn(Cc3ccc(F)cc3)c2cn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
TRPC6 Q9Y210 4/20 0.37
PRKAA2 P54646 1/20 0.37
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 0.36
ENPP2 Q13822 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL4166413 1.00 HCRTR1 (0.38) HCRTR1HCRTR2TRPC6PRKAA2SPHK2
SCHEMBL4165476 0.90 PRKAA2 (0.39) HCRTR1HCRTR2PRKAA2SPHK2SPHK1
SCHEMBL4161112 0.86 RIPK1 (0.41) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL4165466 0.86 PDE4A (0.38) HCRTR1HCRTR2PRKAA2SPHK2SPHK1
SCHEMBL13778785 0.83 MEN1 (0.37) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL13778783 0.83 DRD2 (0.47) MEN1KMT2A
SCHEMBL4163667 0.81 MEN1 (0.42) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL1684248 0.81 HRH3 (0.44) PDE4APDE4BPDE4CPDE4DPIK3CA
SCHEMBL14542135 0.78 IKBKB (0.39) MEN1KMT2A
SCHEMBL4166922 0.77 MEN1 (0.40) PDE4APDE4BPDE4CPDE4DMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US claimed
EP-1943249-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-07-16 EP claimed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 WO claimed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
EP-1943249-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-07-16 EP disclosed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 WO disclosed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 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-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, IMPA1, TYMP HCRTR1 4864/4885HCRTR2 4869/4885TRPC6 4663/4885

“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.