SCHEMBL18338449

SCHEMBL18338449

CC(C)(CO)Cc1cc[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
GMNN O75496 1/20 0.34
GABBR2 O75899 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL23502662 0.82 BRS3 (0.31)
SCHEMBL24759829 0.80
SCHEMBL1911598 0.79 ESR1 (0.32)
SCHEMBL21024977 0.79
SCHEMBL15528280 0.74
SCHEMBL16061663 0.71
SCHEMBL30238079 0.70 CYP3A4 (0.33) LMNACYP1A2CYP3A4CYP2C9NFKB1
SCHEMBL25372657 0.70
Hydrochloric Acid SCHEMBL30723640 0.70
SCHEMBL11212032 0.69 MEN1 (0.34) MEN1GMNNGABBR2ALDH1A1LMNA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340592-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2022-10-27 US disclosed
US-11352369-B2 Pyridine and pyrimidine derivatives ASTRAZENECA AB (SE) 2022-06-07 US disclosed
US-11352369-B2 Pyridine and pyrimidine derivatives ASTRAZENECA AB (SE) 2022-06-07 US disclosed
EP-3539961-B1 POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS ASTRAZENECA AB (SE) 2021-10-06 EP disclosed
EP-3539961-B1 POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS ASTRAZENECA AB (SE) 2021-10-06 EP disclosed
US-20210171541-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2021-06-10 US disclosed
US-20210171541-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2021-06-10 US disclosed
CN-107873028-B Polycyclic amide derivatives useful as CDK9 inhibitors 阿斯利康(瑞典)有限公司 2021-02-02 CN disclosed
US-10717746-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-07-21 US disclosed
US-10717746-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-07-21 US disclosed
EP-3313838-B1 POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS ASTRAZENECA AB (SE) 2019-04-03 EP disclosed
US-20180093998-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2018-04-05 US disclosed
US-20180093998-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2018-04-05 US disclosed
US-20180093998-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2018-04-05 US disclosed
US-9845331-B2 Chemical compounds ASTRAZENECA AB (SE) 2017-12-19 US disclosed
US-9845331-B2 Chemical compounds ASTRAZENECA AB (SE) 2017-12-19 US disclosed
US-9845331-B2 Chemical compounds ASTRAZENECA AB (SE) 2017-12-19 US disclosed
WO-2017001354-A1 POLYCYCLIC AMIDE DERIVATIVES AS CDK9 INHIBITORS ASTRAZENECA AB (SE) 2017-01-05 WO disclosed
US-20160376287-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-12-29 US disclosed
US-20160376287-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-12-29 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 (6 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-20220340592-A1 CHEMICAL COMPOUNDS CDK9, BCL9, BCL9L MEN1 741/4885GMNN 565/4885GABBR2 2002/4885
US-20210171541-A1 CHEMICAL COMPOUNDS CDK9, BCL9, BCL9L MEN1 741/4885GMNN 565/4885GABBR2 2002/4885
US-20160376287-A1 Chemical Compounds CDK9, BCL9, BCL9L MEN1 741/4885GMNN 565/4885GABBR2 2002/4885
US-10717746-B2 Chemical compounds CDK9, BCL9, BCL9L MEN1 741/4885GMNN 565/4885GABBR2 2002/4885
US-20180093998-A1 CHEMICAL COMPOUNDS CDK9, BCL9, BCL9L MEN1 741/4885GMNN 565/4885GABBR2 2002/4885
US-11352369-B2 Pyridine and pyrimidine derivatives CDK9, BCL9, CDK19 MEN1 1266/4885GMNN 748/4885GABBR2 2233/4885

“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.