SCHEMBL16728405

SCHEMBL16728405

CCOC(=O)C1CC2C=CC1CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.38
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
ESR2 Q92731 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA12 O43570 2/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
ATM Q13315 1/20 0.36
MAPK1 P28482 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
SCHEMBL19387893 1.00 ALDH1A1 (0.39) ALDH1A1HPGDKMT2APOLBRAB9A
SCHEMBL29928799 1.00 ALDH1A1 (0.39) ALDH1A1HPGDKMT2APOLBRAB9A
SCHEMBL31178091 0.86 ALDH1A1 (0.49) ALDH1A1HPGDKMT2APOLBRAB9A
SCHEMBL11702317 0.86 ALDH1A1 (0.49) ALDH1A1HPGDKMT2APOLBRAB9A
SCHEMBL2754654 0.86 ALDH1A1 (0.49) ALDH1A1HPGDKMT2APOLBRAB9A
SCHEMBL2754655 0.86 ALDH1A1 (0.49) ALDH1A1HPGDKMT2APOLBRAB9A
SCHEMBL29452889 0.86 ALDH1A1 (0.49) ALDH1A1HPGDKMT2APOLBRAB9A
SCHEMBL200507 0.86 ALDH1A1 (0.49) ALDH1A1HPGDKMT2APOLBRAB9A
SCHEMBL6842215 0.82 ALDH1A1 (0.37) ALDH1A1HPGDKMT2APOLBRAB9A
SCHEMBL11801332 0.81 KDM4E (0.42) ALDH1A1HPGDKMT2APOLBHSD17B10

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-20200123177-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF INFLUENZA VIRUS REPLICATION COCRYSTAL PHARMA, INC. 2020-04-23 US disclosed
EP-3068776-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2019-05-29 EP disclosed
WO-2015073481-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-21 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 (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-11014941-B2 Pyrrolopyrimidine derivatives useful as inhibitors of influenza virus replication ITPA, POLR2H, POLR2E ALDH1A1 2111/4885HPGD 472/4885KMT2A 2703/4885
US-20200123177-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF INFLUENZA VIRUS REPLICATION ITPA, POLR2H, POLR2E ALDH1A1 2111/4885HPGD 472/4885KMT2A 2703/4885

“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.