SCHEMBL62170

SCHEMBL62170

CCc1cccc(CC)c1-c1nc(C)c(CN(C)[C@H]2CCCc3ccccc32)c(Oc2ccc(C(N)=O)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.38
P2RX3 P56373 2/20 0.38
P2RX2 Q9UBL9 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
P4HB P07237 1/20 0.37
ALDH1A1 P00352 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.35
C5AR1 P21730 4/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33
TAOK3 Q9H2K8 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL62696 0.91 P2RX3 (0.41) TAS2R14P2RX3P2RX2MEN1KMT2A
SCHEMBL62275 0.90 P2RX3 (0.38) TAS2R14P2RX3P2RX2MEN1KMT2A
SCHEMBL72513 0.85 MEN1 (0.42) TAS2R14P2RX3P2RX2MEN1KMT2A
SCHEMBL61144 0.85 C5AR1 (0.42) TAS2R14MEN1KMT2AP4HBALDH1A1
SCHEMBL62244 0.85 C5AR1 (0.42) TAS2R14MEN1KMT2AP4HBALDH1A1
SCHEMBL72756 0.85 C5AR1 (0.42) TAS2R14MEN1KMT2AP4HBALDH1A1
SCHEMBL72149 0.84 ALDH1A1 (0.39) TAS2R14MEN1KMT2AP4HBALDH1A1
SCHEMBL62256 0.84 ALDH1A1 (0.39) TAS2R14MEN1KMT2AP4HBALDH1A1
SCHEMBL64660 0.84 ALDH1A1 (0.42) TAS2R14MEN1KMT2AP4HBALDH1A1
SCHEMBL62951 0.83 C5AR1 (0.37) TAS2R14P2RX3P2RX2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-01-28 US claimed
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 TAS2R14 2220/4885P2RX3 22/4885P2RX2 12/4885
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 TAS2R14 2169/4885P2RX3 18/4885P2RX2 11/4885

“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.