SCHEMBL5547146

SCHEMBL5547146

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.41
TLR2 O60603 2/20 0.39
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
ALOX12 P18054 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37
GRIN2B Q13224 1/20 0.37
HPGD P15428 2/20 0.36
EGLN1 Q9GZT9 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
MAPT P10636 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 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 0.91 TLR2 (0.40) MAPK14TLR2KMT2AALDH1A1MEN1
SCHEMBL15163567 0.91 TLR2 (0.39) MAPK14TLR2KMT2AALDH1A1MEN1
SCHEMBL5545627 0.91 GRIN2B (0.40) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL5548055 0.90 HPGD (0.46) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL5545952 0.89 MAPK14 (0.42) MAPK14TLR2KMT2AALDH1A1MEN1
SCHEMBL5546501 0.87 EGLN1 (0.41) KMT2AALDH1A1MEN1SMN1; SMN2KDM4E
SCHEMBL5546950 0.85 MAPK14 (0.37) MAPK14TLR2KMT2AALDH1A1MEN1
SCHEMBL5545391 0.84 MEN1 (0.50) KMT2AMEN1KDM4EL3MBTL1GRIN2B
SCHEMBL5540839 0.84 EGLN1 (0.40) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL5541078 0.83 KDM4E (0.40) TLR2KMT2AALDH1A1MEN1KDM4E

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 1632/4885TLR2 3732/4885KMT2A 502/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 MAPK14 1991/4885TLR2 4373/4885KMT2A 819/4885

“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.