SCHEMBL62373

SCHEMBL62373

CCc1cccc(CC)c1-c1nc(C)c(CN2CCC(O)CC2)c(N2CCCCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
MCL1 Q07820 2/20 0.35
MAT2A P31153 1/20 0.34
CD274 Q9NZQ7 2/20 0.34
PDCD1 Q15116 1/20 0.34
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CNR1 P21554 1/20 0.33
OPRM1 P35372 1/20 0.33
HSD11B1 P28845 2/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL61240 0.90 ALDH1A1 (0.38) MAPTLMNAKDM4ECNR1KMT2A
SCHEMBL63649 0.89 TSHR (0.45) CD274PDCD1LMNAKDM4EKMT2A
SCHEMBL27666516 0.89 S1PR5 (0.41) MAPTCD274LMNAKDM4EKMT2A
SCHEMBL61686 0.87 ALDH1A1 (0.51) MAPTKDM4EKMT2A
SCHEMBL63380 0.85 CXCR4 (0.41) MAPTLMNAKDM4EKMT2A
SCHEMBL61650 0.84 HTT (0.42) MAPTCD274LMNAKDM4EKMT2A
SCHEMBL62164 0.83 CYP2A13 (0.41) MAPTLMNAKDM4EKMT2A
SCHEMBL27666561 0.82 POLB (0.41) LMNAKDM4EKMT2A
SCHEMBL62979 0.80 LMNA (0.43) MAPTLMNAKDM4EKMT2A
SCHEMBL61550 0.80 C5AR1 (0.35) MAPTKDM4EKMT2A

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 17 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
EP-1745033-A4 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORP (US) 2009-08-26 EP claimed
CN-1976918-A 4,5-disubstituted-2-aryl pyrimidines NEUROGEN CORP (US) 2007-06-06 CN claimed
EP-1745033-A2 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORPORATION (US) 2007-01-24 EP claimed
US-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-12-15 US claimed
WO-2005110416-A2 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORPORATION (US) 2005-11-24 WO 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 MAPT 4738/4885MCL1 3614/4885MAT2A 1425/4885
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 MAPT 4669/4885MCL1 3610/4885MAT2A 1352/4885

“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.