SCHEMBL5454598

SCHEMBL5454598

O=C(NCc1nc2cnc3cc(Br)ccc3c2n1CC1CCOCC1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.41
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
JAK1 P23458 4/20 0.38
JAK2 O60674 3/20 0.38
TYK2 P29597 3/20 0.38
JAK3 P52333 3/20 0.38
CNR2 P34972 3/20 0.37
CNR1 P21554 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ABL1 P00519 1/20 0.35
SLC2A1 P11166 1/20 0.35
SLC2A2 P11168 1/20 0.35
SLC2A3 P11169 1/20 0.35
PDPK1 O15530 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
PREP P48147 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
SCHEMBL5459573 0.84 TLR7 (0.49) CNR2CNR1TLR7
SCHEMBL5471088 0.82 BRD4 (0.45) BRD4PIK3CDPIK3CAMTORCNR2
SCHEMBL2115527 0.82 BRD4 (0.45) BRD4PIK3CDPIK3CAMTORCNR2
SCHEMBL4791340 0.82 BRD4 (0.47) BRD4PIK3CDPIK3CAMTORCNR2
SCHEMBL2114249 0.81 BRD4 (0.48) BRD4PIK3CDPIK3CAMTORCNR2
SCHEMBL4790618 0.78 BRD4 (0.50) BRD4PIK3CDPIK3CAMTORCNR2
SCHEMBL3863581 0.78 BRD4 (0.50) BRD4PIK3CDPIK3CAMTORCNR2
SCHEMBL14466814 0.78 PIK3CA (0.43) BRD4PIK3CDPIK3CAMTORCNR2
SCHEMBL3873767 0.73 P2RX3 (0.38) BRD4CNR2CNR1
SCHEMBL4543189 0.73 BRD4 (0.49) BRD4PIK3CDPIK3CAMTORCNR2

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-20070259881-A1 Substituted Imidazo Ring Systems and Methods COLEY PHARMACEUTICAL GROUP, INC. 2007-11-08 US disclosed
WO-2006009832-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-01-26 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-20070259881-A1 Substituted Imidazo Ring Systems and Methods IL2, IL4, IRF3 BRD4 141/4885PIK3CD 1666/4885PIK3CA 1963/4885

“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.