SCHEMBL213684

SCHEMBL213684

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2cc(OCCCN3CCNCC3)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.38
ITGA2B P08514 11/20 0.38
AVPR1B P47901 1/20 0.36
CHEK2 O96017 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
LCK P06239 1/20 0.34
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
MET P08581 1/20 0.33
XDH P47989 1/20 0.33

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
Hydrochloric Acid SCHEMBL213174 0.99 ITGB3 (0.39) ITGB3ITGA2BAVPR1BCHEK2LMNA
SCHEMBL213710 0.97 ITGB3 (0.37) ITGB3ITGA2BCHEK2LMNAMAPK1
Hydrochloric Acid SCHEMBL213384 0.96 ITGB3 (0.38) ITGB3ITGA2BCHEK2LMNAMAPK1
SCHEMBL213923 0.94 CHEK2 (0.41) AVPR1BCHEK2MET
SCHEMBL213820 0.94 HRH4 (0.39) AVPR1BCHEK2LMNAMAPK1HIF1A
SCHEMBL213243 0.93 CHEK2 (0.35) CHEK2LMNAMAPK1HIF1AHRH2
SCHEMBL214629 0.93 HRH3 (0.39) AVPR1B
SCHEMBL216098 0.90 KCNA5 (0.37) AVPR1BCHEK2LMNAMAPK1HIF1A
SCHEMBL215870 0.90 CHEK2 (0.45) AVPR1BCHEK2LMNAMAPK1HIF1A
SCHEMBL214620 0.86 CHEK2 (0.39) ITGB3ITGA2BCHEK2

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 ITGB3 2302/4885ITGA2B 1380/4885AVPR1B 4862/4885

“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.