SCHEMBL4245124

SCHEMBL4245124

CC1CN(Cc2c[nH]nc2-c2ccc(CC(=O)O)cc2)CCN1c1ccc(C(F)(F)F)nc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.42
KCNH2 Q12809 2/20 0.39
GPR119 Q8TDV5 2/20 0.39
PPARD Q03181 4/20 0.39
PPARA Q07869 3/20 0.39
PPARG P37231 2/20 0.39
CHRM4 P08173 1/20 0.39
PARP1 P09874 2/20 0.38
F10 P00742 1/20 0.37
PTGS2 P35354 2/20 0.37
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
CYP2C9 P11712 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
SCHEMBL13590965 1.00 PTGDR2 (0.42) PTGDR2KCNH2GPR119PPARDPPARA
SCHEMBL4067746 0.93 PTGDR2 (0.40) PTGDR2KCNH2GPR119PPARDPPARA
SCHEMBL13590963 0.93 PTGDR2 (0.40) PTGDR2KCNH2GPR119PPARDPPARA
SCHEMBL4250183 0.86 PARP1 (0.34) PTGDR2KCNH2GPR119PPARDPPARA
SCHEMBL13590960 0.86 PARP1 (0.34) PTGDR2KCNH2GPR119PPARDPPARA
SCHEMBL13592418 0.78 CHRM4 (0.37) PTGDR2KCNH2GPR119PPARDPPARA
SCHEMBL4250521 0.74 SMO (0.46) PTGDR2PPARDPPARAPPARG
SCHEMBL4250515 0.74 SMO (0.46) PTGDR2PPARDPPARAPPARG
SCHEMBL4249318 0.72 SMO (0.41) PTGDR2
SCHEMBL4249326 0.72 SMO (0.41) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US claimed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP claimed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 WO claimed
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 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 (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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 PTGDR2 2402/4885KCNH2 1845/4885GPR119 970/4885

“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.