SCHEMBL216122

SCHEMBL216122

O=C(Nc1c(Cl)cccc1Cl)c1nc[nH]c1C(=O)Nc1nc2cc(OCCCN3CCNCC3)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
DRD2 P14416 2/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
AVPR1B P47901 1/20 0.37
MET P08581 3/20 0.37

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
SCHEMBL214297 0.94 EPHX2 (0.44) EPHX2KDM4EALDH1A1DRD2MET
SCHEMBL2735389 0.89 LMNA (0.45) EPHX2KDM4EALDH1A1LMNAMAPK1
SCHEMBL213876 0.88 EPHX2 (0.42) EPHX2
SCHEMBL3992127 0.86 HRH2 (0.41) EPHX2KDM4EDRD2MET
SCHEMBL216183 0.86 DRD3 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2735429 0.86 DRD3 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL215263 0.85 DRD3 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL215460 0.85 LMNA (0.46) KDM4ELMNAMAPK1HIF1AMET
SCHEMBL214860 0.84 LMNA (0.45) KDM4ELMNAMAPK1HIF1AMET
SCHEMBL14223125 0.83 MAPK1 (0.41) KDM4EALDH1A1LMNAMAPK1HIF1A

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 2115/4885PRKAB2 174/4885PRKAG1 322/4885

“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.