SCHEMBL61815

SCHEMBL61815

Cc1ccc(Cl)cc1OCc1c(C)nc(-c2c(C)cccc2C)nc1N1CCN(CC(N)=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
HTR2C P28335 1/20 0.37
CFTR P13569 2/20 0.36
PPARD Q03181 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
AKR1C3 P42330 2/20 0.35
SLC22A12 Q96S37 1/20 0.35
C5AR1 P21730 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34

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
SCHEMBL61416 0.88 C5AR1 (0.44) SMN1; SMN2LMNAC5AR1
SCHEMBL63662 0.84 CCNT1 (0.38) C5AR1MRGPRX4
SCHEMBL62925 0.84 C5AR1 (0.43) SMN1; SMN2LMNAC5AR1
SCHEMBL61189 0.83 C5AR1 (0.40) CFTRSMN1; SMN2C5AR1
SCHEMBL62165 0.83 L3MBTL1 (0.40) SMN1; SMN2NPSR1LMNAC5AR1MRGPRX4
SCHEMBL62689 0.82 C5AR1 (0.39) SMN1; SMN2LMNAC5AR1
SCHEMBL61239 0.82 NR1H4 (0.38) CFTRC5AR1
SCHEMBL62570 0.82 C5AR1 (0.39) SMN1; SMN2LMNAC5AR1
SCHEMBL63231 0.82 C5AR1 (0.39) CFTRSMN1; SMN2LMNAC5AR1
SCHEMBL61114 0.81 C5AR1 (0.38) CFTRSMN1; SMN2POLBLMNAUSP2

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-7482350-B2 4,5-disubstituted-2-aryl pyrimidines NEUROGEN CORPORATION (US) 2009-01-27 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 PTGDR2 179/4885HTR2C 254/4885CFTR 2197/4885
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 PTGDR2 217/4885HTR2C 220/4885CFTR 2468/4885

“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.