SCHEMBL14823853

SCHEMBL14823853

COC(=O)c1cn(Cc2ccc(OC)cc2)nc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ CACNA1G O43497 2/20 0.46
▸ CACNA1H O95180 2/20 0.46
▸ CACNA1I Q9P0X4 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ AADAT Q8N5Z0 1/20 0.44
▸ SNCA P37840 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KLKB1 P03952 1/20 0.42

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
SCHEMBL371016 0.86 KMT2A (0.46) KMT2ACACNA1GCACNA1HCACNA1IL3MBTL1
SCHEMBL30953772 0.86 AADAT (0.46) KMT2ACACNA1GCACNA1HCACNA1IL3MBTL1
SCHEMBL369627 0.85 CACNA1G (0.45) KMT2ACACNA1GCACNA1HCACNA1IL3MBTL1
SCHEMBL15652306 0.85 KDM4E (0.46) KMT2ACACNA1GCACNA1HCACNA1IL3MBTL1
SCHEMBL14329228 0.85 SMN1; SMN2 (0.56) KMT2ACACNA1GCACNA1HCACNA1IL3MBTL1
SCHEMBL25333190 0.84 SMN1; SMN2 (0.45) KMT2ACACNA1GCACNA1HCACNA1IL3MBTL1
SCHEMBL369754 0.84 KLKB1 (0.52) KLKB1
SCHEMBL21518857 0.83 SMN1; SMN2 (0.45) KMT2ACACNA1GCACNA1HCACNA1IL3MBTL1
SCHEMBL3588480 0.82 NPC1 (0.49) KMT2ACACNA1GCACNA1HCACNA1IKDM4E
SCHEMBL15049569 0.82 GAA (0.59) GAAKLKB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2757887-B1 PYRROLOPYRIDINONE COMPOUNDS AND METHODS FOR TREATING HIV VIIV HEALTHCARE UK LTD (GB) 2017-04-26 — — EP disclosed
EP-2757887-B1 PYRROLOPYRIDINONE COMPOUNDS AND METHODS FOR TREATING HIV VIIV HEALTHCARE UK LTD (GB) 2017-04-26 — — EP disclosed
US-9012642-B2 Pyrrolopyridinone compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-04-21 — — US disclosed
US-9012642-B2 Pyrrolopyridinone compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-04-21 — — US disclosed
US-20140343092-A1 Pyrrolopyridinone Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2014-11-20 — — US disclosed
US-20140343092-A1 Pyrrolopyridinone Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2014-11-20 — — US disclosed
WO-2013043553-A1 PYRROLOPYRIDINONE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2013-03-28 — — 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-20140343092-A1 Pyrrolopyridinone Compounds And Methods For Treating HIV DHPS, PRNP, TYMP KMT2A 1620/4885CACNA1G 3319/4885CACNA1H 3403/4885

“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.

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