SCHEMBL61643

SCHEMBL61643

COC(=O)c1c(C)nc(Cl)nc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 6/20 0.36
HPGD P15428 2/20 0.36
PLA2G2A P14555 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35

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
SCHEMBL21032131 0.87 KDM4E (0.45) KDM4EKMT2AMEN1GAASMN1; SMN2
SCHEMBL31368630 0.81 KMT2A (0.41) KDM4EKMT2AMEN1GAASMN1; SMN2
SCHEMBL62649 0.81 KMT2A (0.41) KDM4EKMT2AMEN1GAASMN1; SMN2
SCHEMBL31368629 0.81 KMT2A (0.41) KDM4EKMT2AMEN1GAASMN1; SMN2
SCHEMBL3747564 0.80 TSHR (0.43) KDM4EKMT2AMEN1GAASMN1; SMN2
SCHEMBL26173681 0.79 CNR1 (0.42) KDM4EKMT2AMEN1GAASMN1; SMN2
SCHEMBL22712475 0.79 ALDH1A1 (0.46) KDM4EKMT2AMEN1GAASMN1; SMN2
SCHEMBL19303119 0.77 YTHDC1 (0.40) KDM4EKMT2AMEN1GAASMN1; SMN2
SCHEMBL31583433 0.75 LMNA (0.39) KDM4EKMT2AMEN1GAASMN1; SMN2
SCHEMBL15733812 0.75 KDM4E (0.42) KDM4ESMN1; SMN2ALDH1A1CYP1A2POLB

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 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
EP-1745033-A4 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORP (US) 2009-08-26 EP 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
EP-1745033-A2 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORPORATION (US) 2007-01-24 EP disclosed
US-20050277654-A1 4,5-Disubstituted-2-aryl pyrimidines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-12-15 US disclosed
WO-2005110416-A2 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES NEUROGEN CORPORATION (US) 2005-11-24 WO 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 KDM4E 2238/4885KMT2A 3716/4885MEN1 4414/4885
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 KDM4E 2149/4885KMT2A 3586/4885MEN1 4455/4885

“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.