SCHEMBL214297

SCHEMBL214297

O=C(Nc1c(Cl)cccc1Cl)c1nc[nH]c1C(=O)Nc1nc2cc(OCCCN3CCCCC3)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
MET P08581 5/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 7/20 0.40
DRD2 P14416 2/20 0.40
PARP1 P09874 1/20 0.40
LTA4H P09960 1/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
CHEK2 O96017 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
SCHEMBL216122 0.94 EPHX2 (0.43) EPHX2METKDM4EALDH1A1SMN1; SMN2
SCHEMBL2735389 0.93 LMNA (0.45) EPHX2METKDM4EALDH1A1SMN1; SMN2
SCHEMBL214860 0.90 LMNA (0.45) METKDM4ESMN1; SMN2PARP1LTA4H
SCHEMBL215460 0.89 LMNA (0.46) METKDM4ESMN1; SMN2LTA4HRAF1
SCHEMBL213876 0.89 EPHX2 (0.42) EPHX2
SCHEMBL3992127 0.88 HRH2 (0.41) EPHX2METKDM4EHRH3DRD2
SCHEMBL14223125 0.84 MAPK1 (0.41) METKDM4EALDH1A1SMN1; SMN2
SCHEMBL214530 0.83 HRH3 (0.49) KDM4EALDH1A1SMN1; SMN2HRH3BRAF
SCHEMBL213924 0.82 ALDH1A1 (0.40) METKDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL216183 0.80 DRD3 (0.42) ALDH1A1DRD2LTA4H

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 7 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-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
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
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 EPHX2 2115/4885MET 768/4885KDM4E 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.