SCHEMBL214296

SCHEMBL214296

NC(=O)c1ncn(-c2c(Cl)cccc2Cl)c1C(=O)Nc1nc2cc(OCCCN3CCCCC3)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.43
PARP1 P09874 1/20 0.42
MET P08581 5/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 2/20 0.39
HRH3 Q9Y5N1 5/20 0.39
KMT2A Q03164 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
LTA4H P09960 1/20 0.39

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
SCHEMBL216121 0.94 KDM4E (0.38) CHEK2PARP1METKDM4EALDH1A1
SCHEMBL214859 0.90 CHEK2 (0.47) CHEK2PARP1METKDM4ERAF1
SCHEMBL215459 0.90 CHEK2 (0.46) CHEK2PARP1METKDM4ESMN1; SMN2
SCHEMBL215076 0.87 CHEK2 (0.47) CHEK2PARP1METKDM4EALDH1A1
SCHEMBL214529 0.85 HRH3 (0.42) METHRH3BRAF
SCHEMBL213923 0.83 CHEK2 (0.41) CHEK2PARP1METKDM4EALDH1A1
SCHEMBL213579 0.80 LMNA (0.43) CHEK2METSMN1; SMN2RAF1BRAF
SCHEMBL213820 0.78 HRH4 (0.39) CHEK2HRH3
SCHEMBL214297 0.78 EPHX2 (0.44) CHEK2PARP1METKDM4EALDH1A1
SCHEMBL213243 0.78 CHEK2 (0.35) CHEK2METKDM4EALDH1A1DRD2

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 412/4885PARP1 3502/4885MET 768/4885

“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.