SCHEMBL61742

SCHEMBL61742

CCCN(CCC)c1c(C)nc(-c2c(CC)cccc2CC)nc1-c1ccc2c(c1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.40
CD274 Q9NZQ7 4/20 0.39
PDCD1 Q15116 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MET P08581 1/20 0.39
PIM1 P11309 1/20 0.39
LTK P29376 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL62677 0.95 GABRA1 (0.43) CRHR1MAPTGABRA1GABRB2ALDH1A1
SCHEMBL63218 0.90 CRHR1 (0.42) CRHR1CD274PDCD1ALDH1A1LMNA
SCHEMBL62854 0.86 DPP4 (0.42) CRHR1MEN1MAPTKMT2ATDP1
SCHEMBL61690 0.78 CRHR1 (0.43) CRHR1
SCHEMBL74005 0.78 GABRA1 (0.41) CRHR1MAPTHSP90AA1HSP90AB1GABRA1
SCHEMBL61526 0.78 CRHR1 (0.39) CRHR1MAPTGABRA1GABRB2ALDH1A1
SCHEMBL62688 0.77 CRHR1 (0.45) CRHR1MEN1MAPTKMT2A
SCHEMBL63641 0.71 CRHR1 (0.50) CRHR1RAB9ADPP4
SCHEMBL62708 0.70 CRHR1 (0.75) CRHR1
SCHEMBL62624 0.69 CRHR1 (0.47) CRHR1DPP4

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 15 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
EP-1745033-A4 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORP (US) 2009-08-26 EP 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 CRHR1 449/4885CD274 1113/4885PDCD1 2083/4885
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 CRHR1 465/4885CD274 1306/4885PDCD1 2147/4885

“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.