SCHEMBL21657641

SCHEMBL21657641

CCOCCOc1cccc(C=O)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.54
MAOB P27338 7/20 0.54
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
APP P05067 1/20 0.52
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
SRC P12931 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL29928402 1.00 MAOA (0.54) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL13577707 0.92 MAOA (0.53) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL15426822 0.90 MAOA (0.60) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL22181586 0.90 MAOA (0.60) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL5543437 0.88 MAOA (0.66) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL16451156 0.86 TLR4 (0.57) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL5255935 0.86 NPC1 (0.55) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL30461144 0.86 NPC1 (0.55) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL4748638 0.86 NPC1 (0.55) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL30622749 0.86 NPC1 (0.55) MAOAMAOBNPC1RAB9ATDP1

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
CN-110637022-B Pyrrolopyrimidine derivatives as inhibitors of influenza virus replication 共晶制药公司 2022-09-16 CN disclosed
US-11014941-B2 Pyrrolopyrimidine derivatives useful as inhibitors of influenza virus replication COCRYSTAL PHARMA, INC. (US) 2021-05-25 US disclosed
US-20210121462-A1 PYRROLO[2,3-B]PYRIDIN DERIVATIVES AS INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA, INC. 2021-04-29 US disclosed
CN-112638477-A Pyrrolo [2,3-B ] pyridine derivatives as inhibitors of influenza virus replication 共晶制药公司 2021-04-09 CN disclosed
US-20200123177-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA, INC. 2020-04-23 US disclosed
WO-2020023813-A1 PYRROLO[2,3-B]PYRIDIN DERIVATIVES AS INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA, INC. (US) 2020-01-30 WO disclosed
CN-110637022-A Pyrrolopyrimidine derivatives as inhibitors of influenza virus replication 共晶制药公司 2019-12-31 CN 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 (3 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-11014941-B2 Pyrrolopyrimidine derivatives useful as inhibitors of influenza virus replication ITPA, POLR2H, POLR2E MAOA 1522/4885MAOB 835/4885NPC1 3454/4885
US-20210121462-A1 PYRROLO[2,3-B]PYRIDIN DERIVATIVES AS INHIBITORS OF INFLUENZA VIRUS REPLICATION PIR, PNPO, IDO1 MAOA 127/4885MAOB 21/4885NPC1 4494/4885
US-20200123177-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF INFLUENZA VIRUS REPLICATION ITPA, POLR2H, POLR2E MAOA 1522/4885MAOB 835/4885NPC1 3454/4885

“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.