SCHEMBL217127

SCHEMBL217127

CCN1CCC(Oc2ccc(N(C(=O)c3nc[nH]c3C(N)=O)c3nc4ccccc4[nH]3)c(C)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.37
CHEK2 O96017 5/20 0.37
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
POLB P06746 2/20 0.35
OPRK1 P41145 2/20 0.33
MAPT P10636 2/20 0.33
BRD4 O60885 1/20 0.33
DRD3 P35462 1/20 0.32
PARP1 P09874 1/20 0.32
HRH1 P35367 1/20 0.32
CCR3 P51677 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL214779 0.92 CHEK2 (0.47) CHEK2OPRK1PARP1KCNH2
SCHEMBL213376 0.90 POLB (0.43) HRH3CHEK2POLBMAPTDRD3
SCHEMBL215755 0.89 CHEK2 (0.39) CHEK2POLB
Hydrochloric Acid SCHEMBL213649 0.88 CHEK2 (0.38) CHEK2POLB
SCHEMBL213794 0.87 POLB (0.38) CHEK2POLB
Hydrochloric Acid SCHEMBL215094 0.87 POLB (0.37) CHEK2POLB
SCHEMBL213394 0.84 POLB (0.48) POLBMAPTDRD3
SCHEMBL215286 0.82 LTA4H (0.46) FGFR1PDGFRAKDRDRD3
SCHEMBL214317 0.82 LTA4H (0.41) HRH3FGFR1PDGFRAKDRDRD3
SCHEMBL217227 0.80 POLB (0.37) POLBOPRK1MAPT

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 HRH3 1553/4885CHEK2 412/4885FGFR1 708/4885

“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.