SCHEMBL61526

SCHEMBL61526

CCCN(CCC)c1c(C)nc(-c2c(C)[c]ccc2C)nc1-c1ccc2c(c1)OCO2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
DPP4 P27487 1/20 0.37
ALOX5 P09917 1/20 0.35
ADORA1 P30542 4/20 0.35
ADORA3 P0DMS8 2/20 0.35
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 1/20 0.34
TGFBR1 P36897 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK14 Q16539 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
SCHEMBL62854 0.87 DPP4 (0.42) CRHR1GABRA1GABRB2DPP4ALOX5
SCHEMBL74005 0.83 GABRA1 (0.41) CRHR1GABRA1GABRB2DPP4ALOX5
SCHEMBL62677 0.82 GABRA1 (0.43) CRHR1GABRA1GABRB2DPP4ADORA1
SCHEMBL63218 0.81 CRHR1 (0.42) CRHR1DPP4ALDH1A1LMNA
SCHEMBL61742 0.78 CRHR1 (0.40) CRHR1GABRA1GABRB2DPP4ADORA1
SCHEMBL63641 0.69 CRHR1 (0.50) CRHR1DPP4
SCHEMBL62624 0.67 CRHR1 (0.47) CRHR1DPP4
SCHEMBL64023 0.66 CRHR1 (0.52) CRHR1DPP4
SCHEMBL62099 0.65 CRHR1 (0.46) CRHR1
SCHEMBL9588715 0.64 ALOX5 (0.45) ALOX5HPGDKDM4EALDH1A1LMNA

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 2 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 disclosed
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-01-28 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 (1 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-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 CRHR1 465/4885GABRA1 2402/4885GABRB2 3127/4885

“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.