SCHEMBL216247

SCHEMBL216247

CN1CCC(Oc2ccc(NC(=O)c3c(C(N)=O)ncn3-c3nc4ccccc4[nH]3)c(Cl)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.43
PLK1 P53350 7/20 0.42
NEK2 P51955 6/20 0.42
PLK3 Q9H4B4 3/20 0.42
PIK3CD O00329 1/20 0.42
NUAK1 O60285 1/20 0.42
PDGFRB P09619 1/20 0.42
PIM1 P11309 1/20 0.42
KDR P35968 1/20 0.42
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.39
IGF1R P08069 2/20 0.39
KDM1A O60341 1/20 0.39
BRD4 O60885 1/20 0.38
INSR P06213 1/20 0.38
ALK Q9UM73 1/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
ROCK2 O75116 1/20 0.38
CCNE1 P24864 1/20 0.37

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
SCHEMBL214470 0.91 KDM1A (0.44) CHEK2PLK1PLK3LMNAMAPT
Hydrochloric Acid SCHEMBL213798 0.90 KDM1A (0.43) CHEK2PLK1PLK3LMNAMAPT
SCHEMBL214513 0.88 SCD (0.40) CHEK2LMNAMAPTKDM1A
SCHEMBL214143 0.84 KDM1A (0.42) CHEK2PLK1PLK3LMNAMAPT
SCHEMBL214697 0.83 KDM1A (0.42) CHEK2PLK1PLK3MAPTKDM1A
SCHEMBL216182 0.83 DRD3 (0.41) CHEK2MAPT
Hydrochloric Acid SCHEMBL215262 0.82 ITGB3 (0.41) CHEK2
SCHEMBL213455 0.81 EGLN1 (0.42) LMNAMAPT
SCHEMBL217126 0.79 MAPT (0.41) CHEK2KDRLMNAMAPTKDM1A
SCHEMBL214778 0.79 CHEK2 (0.47) CHEK2PLK1NEK2MAPTKDM1A

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 CHEK2 412/4885PLK1 284/4885NEK2 326/4885

“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.