SCHEMBL21657308

SCHEMBL21657308

CN(CCOCCOCCOCCN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOB P27338 3/20 0.41
GAA P10253 2/20 0.41
RAB9A P51151 2/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
BRCA1 P38398 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL21458740 1.00 PDK2 (0.44) PDK2SMN1; SMN2HPGDNPSR1MAOB
SCHEMBL21071663 0.99 PDK2 (0.45) PDK2SMN1; SMN2HPGDNPSR1MAOB
SCHEMBL21997754 0.92 SMN1; SMN2 (0.42) PDK2SMN1; SMN2HPGDNPSR1MAOB
SCHEMBL20067563 0.89 ACHE (0.42) PDK2SMN1; SMN2HPGDNPSR1MAOB
SCHEMBL3485869 0.88 SMN1; SMN2 (0.45) SMN1; SMN2HPGDNPSR1GAARAB9A
SCHEMBL14554544 0.87 MAOB (0.49) PDK2SMN1; SMN2MAOBGAATDP1
SCHEMBL15996418 0.85 MAOB (0.51) MAOBPOLB
SCHEMBL2399096 0.84 MAOB (0.52) MAOB
SCHEMBL31439940 0.84 MAOB (0.52) MAOB
SCHEMBL21459052 0.84 MAOB (0.51) SMN1; SMN2HPGDNPSR1MAOBGAA

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-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
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

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 PDK2 509/4885SMN1; SMN2 2913/4885HPGD 472/4885
US-20210121462-A1 PYRROLO[2,3-B]PYRIDIN DERIVATIVES AS INHIBITORS OF INFLUENZA VIRUS REPLICATION PIR, PNPO, IDO1 PDK2 377/4885SMN1; SMN2 4681/4885HPGD 1163/4885
US-20200123177-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF INFLUENZA VIRUS REPLICATION ITPA, POLR2H, POLR2E PDK2 509/4885SMN1; SMN2 2913/4885HPGD 472/4885

“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.