SCHEMBL18338347

SCHEMBL18338347

CC(=O)N[C@@H]1CCC[C@H](C(=O)O)C1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.60
EPHX2 P34913 1/20 0.53
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
ATM Q13315 2/20 0.46
TSHR P16473 1/20 0.45
FASN P49327 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
TLR4 O00206 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2370851 1.00 BTK (0.60) BTKEPHX2ALDH1A1KDM4EATM
SCHEMBL26180402 1.00 BTK (0.60) BTKEPHX2ALDH1A1KDM4EATM
SCHEMBL24556894 0.90 BTK (0.49) BTKEPHX2ALDH1A1KDM4EATM
SCHEMBL18038167 0.88 ATM (0.48) BTKEPHX2ALDH1A1KDM4EATM
SCHEMBL2370755 0.88 ATM (0.48) BTKEPHX2ALDH1A1KDM4EATM
SCHEMBL18038251 0.88 ATM (0.48) BTKEPHX2ALDH1A1KDM4EATM
SCHEMBL24556890 0.86 BTK (0.46) BTKEPHX2ALDH1A1KDM4EATM
SCHEMBL283972 0.85 ALDH1A1 (0.61) BTKEPHX2ALDH1A1KDM4EATM
SCHEMBL283971 0.85 ALDH1A1 (0.61) BTKEPHX2ALDH1A1KDM4EATM
SCHEMBL283828 0.85 ALDH1A1 (0.61) BTKEPHX2ALDH1A1KDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163043-A1 CDK9 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2025-05-22 US disclosed
EP-4450501-A1 CDK9 INHIBITOR AND USE THEREOF TransThera Sciences (Nanjing), Inc. (CN) 2024-10-23 EP disclosed
CN-116354957-A CDK9 inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2023-06-30 CN disclosed
WO-2023109959-A1 CDK9 INHIBITOR AND USE THEREOF 药捷安康(南京)科技股份有限公司 2023-06-22 WO disclosed
WO-2023109959-A1 CDK9 INHIBITOR AND USE THEREOF 药捷安康(南京)科技股份有限公司 2023-06-22 WO disclosed
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
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 (5 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 BTK 398/4885EPHX2 4251/4885ALDH1A1 4269/4885
US-20160376287-A1 Chemical Compounds CDK9, BCL9, BCL9L BTK 398/4885EPHX2 4251/4885ALDH1A1 4269/4885
US-20180093998-A1 CHEMICAL COMPOUNDS CDK9, BCL9, BCL9L BTK 398/4885EPHX2 4251/4885ALDH1A1 4269/4885
US-11352369-B2 Pyridine and pyrimidine derivatives CDK9, BCL9, CDK19 BTK 291/4885EPHX2 4120/4885ALDH1A1 4308/4885
US-20250163043-A1 CDK9 INHIBITOR AND USE THEREOF CDK9, CDK19, CDKL1 BTK 759/4885EPHX2 3268/4885ALDH1A1 2791/4885

“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.