SCHEMBL72818

SCHEMBL72818

Cc1cccc(C)c1-c1nc(C)c(CN2CCc3ccccc3C2)c(N2CCN(CC#N)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CD44 P16070 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
DHFR P00374 1/20 0.36
PRMT5 O14744 5/20 0.35
WDR77 Q9BQA1 5/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 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
SCHEMBL3509008 0.85 KDM4E (0.41) HTTKDM4EKMT2AGAAMAPT
SCHEMBL62362 0.84 CFTR (0.44) HTTKDM4EKMT2AGAAMAPT
SCHEMBL61210 0.79 C5AR1 (0.38) KDM4EKMT2AMAPTSMN1; SMN2LMNA
SCHEMBL62979 0.76 LMNA (0.43) HTTKDM4EKMT2AGAAMAPT
SCHEMBL72878 0.76 JAK2 (0.33) HTTKDM4EKMT2AGAANPSR1
SCHEMBL13949225 0.71 JAK2 (0.32) MAPT
SCHEMBL4033643 0.68 ALDH1A1 (0.49) KDM4EPRMT5WDR77
SCHEMBL30574999 0.68 ALDH1A1 (0.49) KDM4EPRMT5WDR77
SCHEMBL62900 0.64 C5AR1 (0.38) HTTKDM4EKMT2AMAPTL3MBTL1
SCHEMBL1329650 0.64 LMNA (0.46) HTTKDM4EKMT2AGAAMAPT

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 9 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-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

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 HTT 4546/4885KDM4E 2238/4885KMT2A 3716/4885
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 HTT 4501/4885KDM4E 2149/4885KMT2A 3586/4885

“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.