SCHEMBL5124567

SCHEMBL5124567

CC(C)(C)OC(=O)NCCCCn1c(CCl)nc2cnc3cccnc3c21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 4/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DRD2 P14416 4/20 0.41
DYRK1A Q13627 1/20 0.40
BRD4 O60885 2/20 0.40
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL1231989 0.97 KDM4E (0.45) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5129239 0.92 STING1 (0.46) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3355952 0.90 TLR7 (0.48) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4309229 0.89 STING1 (0.46) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5126615 0.89 CYP3A4 (0.42) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5115537 0.86 STING1 (0.42) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3353897 0.85 TLR7 (0.47) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4156877 0.85 KDM4E (0.44) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12888449 0.85 KDM4E (0.44) STING1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1232968 0.84 TLR7 (0.45) STING1DRD2DYRK1ABRD4STK17B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-01-17 US disclosed
WO-2005123079-A2 UREA SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-12-29 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-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines IL2, EIF2AK2, IL4 STING1 25/4885CYP3A4 703/4885CYP2D6 2527/4885

“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.