SCHEMBL216098

SCHEMBL216098

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2cc(OCCN3CCN(C)CC3)ccc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.37
DRD3 P35462 5/20 0.36
DRD2 P14416 3/20 0.36
HTR1B P28222 1/20 0.35
CHEK2 O96017 1/20 0.35
AVPR1B P47901 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
FLT3 P36888 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
PDGFRB P09619 1/20 0.34
LCK P06239 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CHUK O15111 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
SCHEMBL213820 0.97 HRH4 (0.39) KCNA5DRD3CHEK2AVPR1BRAB9A
SCHEMBL213710 0.94 ITGB3 (0.37) KCNA5DRD3DRD2CHEK2LMNA
Hydrochloric Acid SCHEMBL213384 0.93 ITGB3 (0.38) KCNA5DRD3DRD2CHEK2LMNA
SCHEMBL213243 0.92 CHEK2 (0.35) DRD3DRD2CHEK2LMNAMAPK1
SCHEMBL213923 0.92 CHEK2 (0.41) CHEK2AVPR1BFLT3PDGFRBKDM4E
SCHEMBL213684 0.90 ITGB3 (0.38) CHEK2AVPR1BLMNAMAPK1HIF1A
SCHEMBL215365 0.90 CHEK2 (0.44) CHEK2LMNAMAPK1HIF1AFLT3
SCHEMBL214629 0.90 HRH3 (0.39) AVPR1BFGFR1KDM4ECHUKINSR
Hydrochloric Acid SCHEMBL213174 0.90 ITGB3 (0.39) CHEK2AVPR1BLMNAMAPK1HIF1A
SCHEMBL215870 0.87 CHEK2 (0.45) CHEK2AVPR1BFGFR1LMNAMAPK1

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 KCNA5 3290/4885DRD3 4551/4885DRD2 3081/4885

“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.