SCHEMBL5545904

SCHEMBL5545904

CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC2CCNCC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
FEN1 P39748 1/20 0.39
CNR2 P34972 10/20 0.39
CNR1 P21554 2/20 0.39
GSK3B P49841 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TLR2 O60603 2/20 0.37
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX3 P56373 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
SCHEMBL5547046 0.94 GSK3B (0.42) BRD4CNR2CNR1GSK3BL3MBTL1
SCHEMBL5548068 0.90 FEN1 (0.37) BRD4FEN1CNR2CNR1L3MBTL1
SCHEMBL5546723 0.90 L3MBTL1 (0.38) BRD4FEN1CNR2CNR1GSK3B
SCHEMBL5540584 0.86 CNR2 (0.47) CNR2CNR1
SCHEMBL5540750 0.84 L3MBTL1 (0.41) CNR2CNR1GSK3BL3MBTL1TLR2
SCHEMBL5545522 0.84 RXFP1 (0.41) FEN1CNR2CNR1L3MBTL1HIF1A
SCHEMBL5540555 0.84 HIF1A (0.41) CNR2CNR1GSK3BL3MBTL1TLR2
SCHEMBL5540566 0.83 CNR2 (0.43) CNR2CNR1GSK3BL3MBTL1TLR2
SCHEMBL5545339 0.83 HIF1A (0.41) CNR2CNR1GSK3BL3MBTL1TLR2
SCHEMBL5545322 0.83 CYP2C19 (0.43) MEN1KMT2A

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-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 BRD4 36/4885FEN1 821/4885CNR2 3954/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 BRD4 223/4885FEN1 436/4885CNR2 4810/4885

“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.