SCHEMBL5545952

SCHEMBL5545952

CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(-c2cccnc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.42
MAT2A P31153 3/20 0.39
CNR2 P34972 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TLR2 O60603 2/20 0.37
CNR1 P21554 1/20 0.37
HTT P42858 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35

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
SCHEMBL15163559 0.90 TLR2 (0.40) MAPK14MAT2ACNR2MEN1KMT2A
SCHEMBL5545896 0.90 MEN1 (0.40) MAPK14CNR2MEN1KMT2AL3MBTL1
SCHEMBL15163567 0.90 TLR2 (0.39) MAPK14MAT2ACNR2MEN1KMT2A
SCHEMBL5547146 0.89 MAPK14 (0.41) MAPK14CNR2MEN1KMT2AKDM4E
SCHEMBL5547005 0.89 MEN1 (0.39) MAPK14MAT2ACNR2MEN1KMT2A
SCHEMBL5546950 0.87 MAPK14 (0.37) MAPK14MAT2ACNR2MEN1KMT2A
SCHEMBL5547227 0.85 GRIN1 (0.46) CNR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL5545713 0.84 EGLN1 (0.40) CNR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL5545513 0.82 MEN1 (0.51) CNR2MEN1KMT2AKDM4EALDH1A1
SCHEMBL5547276 0.82 CNR2 (0.41) CNR2MEN1KMT2ACNR1HTT

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 MAPK14 1632/4885MAT2A 478/4885CNR2 3954/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 MAPK14 1991/4885MAT2A 297/4885CNR2 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.