SCHEMBL2114249

SCHEMBL2114249

CC(=O)OCc1nc2cnc3cc(Br)ccc3c2n1CC1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.48
CNR2 P34972 6/20 0.41
CNR1 P21554 4/20 0.41
PIK3CA P42336 3/20 0.40
PIK3CD O00329 2/20 0.40
MTOR P42345 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TLR7 Q9NYK1 4/20 0.38
SLC2A1 P11166 1/20 0.36
SLC2A2 P11168 1/20 0.36
SLC2A3 P11169 1/20 0.36
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL3863581 0.86 BRD4 (0.50) BRD4CNR2CNR1PIK3CAPIK3CD
SCHEMBL4791340 0.85 BRD4 (0.47) BRD4CNR2CNR1PIK3CAPIK3CD
SCHEMBL2115527 0.83 BRD4 (0.45) BRD4CNR2CNR1PIK3CAPIK3CD
SCHEMBL5471088 0.83 BRD4 (0.45) BRD4CNR2CNR1PIK3CAPIK3CD
SCHEMBL4790618 0.83 BRD4 (0.50) BRD4CNR2CNR1PIK3CAPIK3CD
SCHEMBL5454598 0.81 BRD4 (0.41) BRD4CNR2CNR1PIK3CAPIK3CD
SCHEMBL4763449 0.79 BRD4 (0.50) BRD4CNR2CNR1PIK3CAPIK3CD
SCHEMBL14466814 0.79 PIK3CA (0.43) BRD4CNR2CNR1PIK3CAPIK3CD
SCHEMBL3867837 0.77 TLR7 (0.39) BRD4CNR2CNR1TLR7
SCHEMBL4543189 0.77 BRD4 (0.49) BRD4CNR2CNR1PIK3CAPIK3CD

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-8846710-B2 Method of preferentially inducing the biosynthesis of interferon 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-09-30 US disclosed
US-8158794-B2 Hydroxyalkyl substituted imidazoquinoline compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-04-17 US disclosed
US-20090069314-A1 Hydroxyalkyl Substituted Imidazoquinoline Compounds and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 US disclosed
US-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-01-29 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-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon IFNG, IFNAR1, EIF2AK2 BRD4 1092/4885CNR2 2464/4885CNR1 2720/4885
US-20090069314-A1 Hydroxyalkyl Substituted Imidazoquinoline Compounds and Methods IFNG, IRF3, IFNAR1 BRD4 274/4885CNR2 1771/4885CNR1 2626/4885

“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.