SCHEMBL213923

SCHEMBL213923

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2cc(OCCCN3CCCCC3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP1 P09874 1/20 0.37
HRH3 Q9Y5N1 4/20 0.37
MAOB P27338 2/20 0.37
MET P08581 2/20 0.37
DHODH Q02127 1/20 0.37
AVPR1B P47901 2/20 0.36
TLR7 Q9NYK1 1/20 0.36
PDGFRB P09619 1/20 0.36
FLT3 P36888 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL213820 0.95 HRH4 (0.39) CHEK2HRH3AVPR1B
SCHEMBL213684 0.94 ITGB3 (0.38) CHEK2METAVPR1B
SCHEMBL213243 0.94 CHEK2 (0.35) CHEK2ALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL213174 0.94 ITGB3 (0.39) CHEK2AVPR1B
SCHEMBL214629 0.94 HRH3 (0.39) KDM4EMEN1KMT2AHRH3DHODH
SCHEMBL215870 0.94 CHEK2 (0.45) CHEK2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL216098 0.92 KCNA5 (0.37) CHEK2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL213710 0.91 ITGB3 (0.37) CHEK2MEN1KMT2APARP1PDGFRB
Hydrochloric Acid SCHEMBL213384 0.90 ITGB3 (0.38) CHEK2MEN1KMT2APARP1PDGFRB
SCHEMBL215365 0.90 CHEK2 (0.44) CHEK2KDM4EMEN1KMT2APARP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 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 (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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 CHEK2 412/4885ALDH1A1 4295/4885KDM4E 952/4885

“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.