SCHEMBL213820

SCHEMBL213820

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2cc(OCCCN3CCN(C)CC3)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.39
RAB9A P51151 1/20 0.38
DRD3 P35462 2/20 0.36
CHEK2 O96017 1/20 0.36
AVPR1B P47901 2/20 0.36
HRH3 Q9Y5N1 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
KCNA5 P22460 1/20 0.34

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
SCHEMBL216098 0.97 KCNA5 (0.37) HRH4RAB9ADRD3CHEK2AVPR1B
SCHEMBL213243 0.95 CHEK2 (0.35) HRH4DRD3CHEK2LMNAMAPK1
SCHEMBL213923 0.95 CHEK2 (0.41) CHEK2AVPR1BHRH3
SCHEMBL213684 0.94 ITGB3 (0.38) CHEK2AVPR1BLMNAMAPK1HIF1A
Hydrochloric Acid SCHEMBL213174 0.93 ITGB3 (0.39) CHEK2AVPR1BLMNAMAPK1HIF1A
SCHEMBL214629 0.93 HRH3 (0.39) AVPR1BHRH3
SCHEMBL213710 0.90 ITGB3 (0.37) DRD3CHEK2LMNAMAPK1HIF1A
SCHEMBL215870 0.90 CHEK2 (0.45) CHEK2AVPR1BLMNAMAPK1HIF1A
Hydrochloric Acid SCHEMBL213384 0.90 ITGB3 (0.38) DRD3CHEK2LMNAMAPK1HIF1A
SCHEMBL215365 0.87 CHEK2 (0.44) CHEK2LMNAMAPK1HIF1A

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 6 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 claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
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 HRH4 1909/4885RAB9A 2213/4885DRD3 4551/4885

“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.