SCHEMBL213710

SCHEMBL213710

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2cc(OCCN3CCNCC3)ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
CHEK2 O96017 1/20 0.35
PARP1 P09874 1/20 0.34
FLT3 P36888 2/20 0.34
PDGFRB P09619 1/20 0.34
DRD3 P35462 4/20 0.34
CHUK O15111 2/20 0.34
INSR P06213 2/20 0.34
MAPK8 P45983 2/20 0.34
CAMKK2 Q96RR4 2/20 0.34
DRD2 P14416 2/20 0.34
KCNA5 P22460 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
JAK2 O60674 1/20 0.33
SYK P43405 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 SCHEMBL213384 0.99 ITGB3 (0.38) ITGB3ITGA2BLMNAMAPK1HIF1A
SCHEMBL213684 0.97 ITGB3 (0.38) ITGB3ITGA2BLMNAMAPK1HIF1A
Hydrochloric Acid SCHEMBL213174 0.96 ITGB3 (0.39) ITGB3ITGA2BLMNAMAPK1HIF1A
SCHEMBL216098 0.94 KCNA5 (0.37) LMNAMAPK1HIF1ACHEK2FLT3
SCHEMBL213923 0.91 CHEK2 (0.41) CHEK2PARP1FLT3PDGFRBMEN1
SCHEMBL213820 0.90 HRH4 (0.39) LMNAMAPK1HIF1ACHEK2DRD3
SCHEMBL213243 0.90 CHEK2 (0.35) LMNAMAPK1HIF1ACHEK2DRD3
SCHEMBL215365 0.90 CHEK2 (0.44) LMNAMAPK1HIF1ACHEK2PARP1
SCHEMBL214629 0.89 HRH3 (0.39) CHUKINSRMAPK8CAMKK2MEN1
SCHEMBL214620 0.87 CHEK2 (0.39) ITGB3ITGA2BCHEK2MEN1KMT2A

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 5 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-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 1380/4885LMNA 4821/4885

“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.