SCHEMBL63015

SCHEMBL63015

CCc1cc(F)c(C)c(OCc2c(C)nc(-c3c(C)cccc3C)nc2N2CCN(CC(N)=O)[C@H](C)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 7/20 0.42
AOC3 Q16853 1/20 0.32
SGPL1 O95470 1/20 0.31
HTR1D P28221 5/20 0.31
SLC6A4 P31645 5/20 0.31
HTR1A P08908 4/20 0.31
HTR1B P28222 4/20 0.31
CHRM1 P11229 1/20 0.31
KLKB1 P03952 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
LIMK2 P53671 1/20 0.30

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
SCHEMBL3837326 0.96 C5AR1 (0.39) C5AR1AOC3PPARGPPARDPPARA
SCHEMBL62935 0.90 C5AR1 (0.43) C5AR1AOC3SGPL1CHRM1
SCHEMBL62722 0.90 C5AR1 (0.46) C5AR1AOC3CHRM1LIMK2
SCHEMBL61195 0.89 C5AR1 (0.43) C5AR1SGPL1PPARGPPARDPPARA
SCHEMBL61159 0.89 C5AR1 (0.42) C5AR1AOC3CHRM1
SCHEMBL63582 0.88 C5AR1 (0.43) C5AR1AOC3HTR1DSLC6A4HTR1A
SCHEMBL61302 0.86 C5AR1 (0.41) C5AR1AOC3CHRM1
SCHEMBL64888 0.84 C5AR1 (0.44) C5AR1AOC3CHRM1LIMK2
SCHEMBL62058 0.83 C5AR1 (0.41) C5AR1AOC3CHRM1
SCHEMBL61134 0.83 C5AR1 (0.42) C5AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-12-15 US claimed
US-8129395-B2 4,5-disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-03-06 US disclosed
US-8129395-B2 4,5-disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-03-06 US disclosed
US-8129395-B2 4,5-disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-03-06 US disclosed
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-01-28 US disclosed
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-01-28 US disclosed
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-01-28 US disclosed
US-7482350-B2 4,5-disubstituted-2-aryl pyrimidines NEUROGEN CORPORATION (US) 2009-01-27 US disclosed
US-7482350-B2 4,5-disubstituted-2-aryl pyrimidines NEUROGEN CORPORATION (US) 2009-01-27 US disclosed
US-7482350-B2 4,5-disubstituted-2-aryl pyrimidines NEUROGEN CORPORATION (US) 2009-01-27 US disclosed
US-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-12-15 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 (2 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-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C3AR1, C5AR1 C5AR1 3/4885AOC3 652/4885SGPL1 3346/4885
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 C5AR1 2/4885AOC3 690/4885SGPL1 3218/4885

“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.