SCHEMBL3867936

SCHEMBL3867936

CCc1nc2cnc3cc(Br)ccc3c2n1CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.41
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
PIK3CA P42336 1/20 0.39
PRKDC P78527 1/20 0.39
RORC P51449 2/20 0.39
MERTK Q12866 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
GPR119 Q8TDV5 4/20 0.37
USP30 Q70CQ3 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
CHEK2 O96017 2/20 0.37
P2RX3 P56373 1/20 0.37
FPR3 P25089 1/20 0.36
FAAH O00519 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
SCHEMBL3862246 0.93 FPR2 (0.40) FPR2IDO1TDO2PIK3CAPRKDC
SCHEMBL3863864 0.92 FPR2 (0.39) FPR2IDO1TDO2PIK3CAPRKDC
SCHEMBL3873767 0.88 P2RX3 (0.38) FPR2P2RX3
SCHEMBL3867954 0.85 TLR7 (0.47) FPR2RORC
SCHEMBL3862503 0.81 P2RX3 (0.39) P2RX3
SCHEMBL3867837 0.80 TLR7 (0.39) P2RX3
SCHEMBL3862115 0.80 HPGDS (0.41) MERTKGPR119USP30KDM4EPKM
SCHEMBL4791340 0.79 BRD4 (0.47) PIK3CA
SCHEMBL3864996 0.79 TLR7 (0.49)
SCHEMBL3865676 0.78 TLR8 (0.39) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
US-7091214-B2 Aryl substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2006-08-15 US disclosed
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 US disclosed
US-20040147543-A1 Aryl substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-29 US 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 (2 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-20040147543-A1 Aryl substituted imidazoquinolines IL2, IFNG, IRF3 FPR2 1268/4885IDO1 53/4885TDO2 1825/4885
US-20060111387-A1 ARYL SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 FPR2 1268/4885IDO1 53/4885TDO2 1825/4885

“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.