SCHEMBL62176

SCHEMBL62176

CCc1cccc(CC)c1-c1nc(C)c(CN2CCOc3ccc(C)nc32)c(N2CCCCC2)n1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 2/20 0.31
SCN10A Q9Y5Y9 1/20 0.30
NUDT1 P36639 1/20 0.30
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KLKB1 P03952 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
SCHEMBL62172 0.89 MEN1 (0.34) LMNAUSP2TSHR
SCHEMBL62209 0.89 GBA1 (0.31) NUDT1NPSR1
SCHEMBL3837047 0.89 PTGER3 (0.33) PTGER3ALDH1A1NUDT1MAPT
SCHEMBL61296 0.88 ELANE (0.33) LMNASCN10ATSHRNPSR1KLKB1
SCHEMBL3509664 0.88 PTGER3 (0.32) PTGER3
SCHEMBL62683 0.87 TSHR (0.36) PTGER3LMNAALDH1A1MAPTTSHR
SCHEMBL63143 0.86 PIK3CD (0.35) PTGER3ALDH1A1NUDT1USP2TSHR
SCHEMBL61175 0.85 CYP11B2 (0.41) ALDH1A1MAPT
SCHEMBL62739 0.84 GBA1 (0.37)
SCHEMBL61696 0.82 PIK3CD (0.33) PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129395-B2 4,5-disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-03-06 US claimed
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 PTGER3 267/4885TRPV1 328/4885LMNA 4535/4885
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 PTGER3 309/4885TRPV1 427/4885LMNA 4655/4885

“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.