SCHEMBL5545793

SCHEMBL5545793

COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2ncc[nH]2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 6/20 0.36
CNR1 P21554 1/20 0.36
NAMPT P43490 5/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GRIN2B Q13224 3/20 0.34
GRIN1 Q05586 2/20 0.34
KDM4E B2RXH2 1/20 0.34
EGLN1 Q9GZT9 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
SCHEMBL5545901 0.91 L3MBTL1 (0.38) L3MBTL1CNR2CNR1NAMPTMEN1
SCHEMBL5548075 0.90 CNR2 (0.39) L3MBTL1CNR2CNR1NAMPTMEN1
SCHEMBL5545883 0.89 NAMPT (0.37) L3MBTL1CNR2CNR1NAMPTMEN1
SCHEMBL5546812 0.86 CNR2 (0.41) L3MBTL1CNR2CNR1MEN1KMT2A
SCHEMBL5545366 0.86 L3MBTL1 (0.43) L3MBTL1CNR2MEN1KMT2AGRIN2B
SCHEMBL5545541 0.86 PIK3CA (0.48) CNR2CNR1NAMPT
SCHEMBL5547322 0.85 ALDH1A1 (0.43) L3MBTL1CNR2CNR1MEN1KMT2A
SCHEMBL5539156 0.85 L3MBTL1 (0.41) L3MBTL1CNR2CNR1MEN1KMT2A
SCHEMBL5548090 0.85 L3MBTL1 (0.42) L3MBTL1CNR2MEN1KMT2AKDM4E
SCHEMBL5538439 0.85 GRIN2B (0.45) L3MBTL1CNR2MEN1KMT2AGRIN2B

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-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
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP 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 L3MBTL1 1411/4885CNR2 3954/4885CNR1 4053/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885CNR2 4810/4885CNR1 4670/4885

“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.