SCHEMBL203579

SCHEMBL203579

CC(C)(C)OC(=O)NCCCn1c(S(C)(=O)=O)nc2cnc3cc(Br)ccc3c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.48
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
STING1 Q86WV6 4/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
CAMK2D Q13557 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CNR2 P34972 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
EGFR P00533 1/20 0.36
RAF1 P04049 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36

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
SCHEMBL1233021 0.88 DYRK1A (0.45) DYRK1APIM1PIM3STING1CYP2D6
SCHEMBL203737 0.86 DYRK1A (0.44) DYRK1APIM1PIM3STING1CYP2D6
SCHEMBL1233687 0.83 DYRK1A (0.40) DYRK1ASTING1CYP2D6CYP2C19CAMK2D
SCHEMBL203332 0.80 ALDH1A1 (0.42) AURKB
SCHEMBL202089 0.79 DYRK1A (0.44) DYRK1APIM1PIM3CAMK2DCNR2
SCHEMBL5344983 0.75 DYRK1A (0.47) DYRK1APIM1PIM3STING1CNR2
SCHEMBL202649 0.75 KDM4E (0.41) DYRK1ACA12CA1CA2CA9
SCHEMBL15798230 0.74 DYRK1A (0.56) DYRK1APIM1PIM3CA12CA1
SCHEMBL1232968 0.74 TLR7 (0.45) DYRK1APIM1PIM3STING1CNR2
SCHEMBL22336631 0.74 TLR7 (0.40) DYRK1ACA12CA1CA2CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088788-B2 Substituted fused[1,2] imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-03 US disclosed
US-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS PFIZER INC. 2009-09-03 US disclosed
WO-2007106852-A2 SUBSTITUTED FUSED[1,2]IMIDAZO[4,5-C] RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-09-20 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-20090221551-A1 SUBSTITUTED FUSED[1,2] IMIDAZO[4,5C] RING COMPOUNDS AND METHODS IL2, IFNG, IL4 DYRK1A 4633/4885PIM1 966/4885PIM3 907/4885

“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.