SCHEMBL216121

SCHEMBL216121

NC(=O)c1ncn(-c2c(Cl)cccc2Cl)c1C(=O)Nc1nc2cc(OCCCN3CCNCC3)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
CHEK2 O96017 1/20 0.37
EPHX2 P34913 2/20 0.37
DRD2 P14416 2/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
PARP1 P09874 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
AVPR1B P47901 1/20 0.36
MET P08581 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL214296 0.94 CHEK2 (0.43) KDM4EALDH1A1CHEK2DRD2PARP1
SCHEMBL215459 0.85 CHEK2 (0.46) KDM4ECHEK2DRD2PARP1MET
SCHEMBL214859 0.85 CHEK2 (0.47) KDM4ECHEK2PARP1METLMNA
SCHEMBL214529 0.84 HRH3 (0.42) PRKAA1METLMNAMAPK1HIF1A
SCHEMBL213684 0.83 ITGB3 (0.38) ITGB3ITGA2BCHEK2AVPR1BMET
SCHEMBL215076 0.83 CHEK2 (0.47) KDM4EALDH1A1CHEK2DRD2PARP1
Hydrochloric Acid SCHEMBL213174 0.83 ITGB3 (0.39) ITGB3ITGA2BCHEK2AVPR1BLMNA
SCHEMBL216182 0.81 DRD3 (0.41) ITGB3ITGA2BCHEK2DRD2PRKAB2
Hydrochloric Acid SCHEMBL215262 0.80 ITGB3 (0.41) ITGB3ITGA2BCHEK2DRD2PRKAB2
SCHEMBL213710 0.80 ITGB3 (0.37) ITGB3ITGA2BCHEK2DRD2PARP1

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 KDM4E 952/4885ALDH1A1 4295/4885ITGB3 2302/4885

“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.