SCHEMBL72878

SCHEMBL72878

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.33
ABL1 P00519 1/20 0.33
KDR P35968 1/20 0.33
STAT3 P40763 1/20 0.33
GSK3B P49841 1/20 0.33
AURKB Q96GD4 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
DHFR P00374 1/20 0.31
HPGD P15428 1/20 0.31
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
CLK1 P49759 1/20 0.30

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
SCHEMBL3505822 0.84 C5AR1 (0.33) KMT2AKDM4EGAAALDH1A1
SCHEMBL73145 0.84 C5AR1 (0.36) GAAALDH1A1HTT
SCHEMBL3817754 0.78 SLC6A2 (0.30) KMT2AKDM4EGAAALDH1A1
SCHEMBL72818 0.76 HTT (0.38) MEN1KMT2AKDM4EGAANPSR1
SCHEMBL61210 0.75 C5AR1 (0.38) JAK2ABL1KDRSTAT3GSK3B
SCHEMBL13949225 0.72 JAK2 (0.32) JAK2ABL1KDRSTAT3GSK3B
SCHEMBL10728274 0.64 ALDH1A1 (0.48) MEN1KMT2APOLBKDM4EGAA
SCHEMBL61416 0.63 C5AR1 (0.44) ALDH1A1HTT
SCHEMBL62362 0.60 CFTR (0.44) MEN1KMT2APOLBKDM4EGAA
SCHEMBL62900 0.60 C5AR1 (0.38) MEN1KMT2AKDM4EALDH1A1HTT

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 10 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
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 JAK2 1370/4885ABL1 1985/4885KDR 192/4885
US-20100022516-A1 4,5-Disubstituted-2-aryl pyrimidines C5AR2, C5AR1, C3AR1 JAK2 1432/4885ABL1 2039/4885KDR 184/4885

“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.