SCHEMBL20089716

SCHEMBL20089716

C[C@H](Cc1cccc2c1cnn2C1CCCCO1)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ ACE P12821 1/20 0.36
▸ ATR Q13535 3/20 0.36
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ KLK5 Q9Y337 1/20 0.34
▸ SCN9A Q15858 2/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ EPHX1 P07099 1/20 0.33

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
SCHEMBL22262021 0.87 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL22262022 0.87 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20116867 0.84 NQO2 (0.46) RXRARXRBRXRGATRSCN9A
SCHEMBL28703847 0.81 RXRA (0.40) RXRARXRBRXRGATRCYP4F2
SCHEMBL28703846 0.81 RXRA (0.40) RXRARXRBRXRGATRCYP4F2
SCHEMBL31178830 0.80 CYP11B2 (0.35) RXRARXRBRXRGATRCACNA1B
SCHEMBL31161177 0.78 RXRA (0.37) RXRARXRBRXRGATRCYP4F2
SCHEMBL19502544 0.78 RXRA (0.41) RXRARXRBRXRGATRCYP4F2
SCHEMBL1760288 0.76 RXRA (0.43) RXRARXRBRXRGSCN9ACYP4F2
SCHEMBL22941287 0.76 RXRA (0.45) RXRARXRBRXRGATRSCN9A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383895-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2024-11-21 — — US disclosed
US-12077530-B2 Chemical compounds ASTRAZENECA AB (SE) 2024-09-03 — — US disclosed
EP-3640251-B1 6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[4,3-F]ISOQUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2021-12-08 — — EP disclosed
US-20210284636-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2021-09-16 — — US disclosed
US-10961241-B2 Chemical compounds ASTRAZENECA AB (SE) 2021-03-30 — — US disclosed
US-20200239467-A1 CHEMICAL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2020-07-30 — — US disclosed
EP-3640251-A1 6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[4,3-F]ISOQUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2020-04-22 — — EP disclosed
US-10590130-B2 Chemical compounds ASTRAZENECA AB (SE) 2020-03-17 — — US disclosed
EP-3433256-B1 6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[4,3-F]ISOQUINOLINE DERIVATIVE USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2019-08-07 — — EP disclosed
US-20190100520-A1 CHEMICAL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2019-04-04 — — US disclosed
WO-2018077630-A1 6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[4,3-F]ISOQUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2018-05-03 — — WO disclosed
US-20180111931-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2018-04-26 — — US disclosed
US-20180111931-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2018-04-26 — — 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 (8 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-20200239467-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 RXRA 380/4885RXRB 311/4885RXRG 283/4885
US-10961241-B2 Chemical compounds MKI67, CCNI, MCL1 RXRA 380/4885RXRB 311/4885RXRG 283/4885
US-12077530-B2 Chemical compounds MKI67, CCNI, MCL1 RXRA 380/4885RXRB 311/4885RXRG 283/4885
US-20180111931-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 RXRA 380/4885RXRB 311/4885RXRG 283/4885
US-20190100520-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 RXRA 380/4885RXRB 311/4885RXRG 283/4885
US-10590130-B2 Chemical compounds MKI67, CCNI, MCL1 RXRA 380/4885RXRB 311/4885RXRG 283/4885
US-20210284636-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 RXRA 380/4885RXRB 311/4885RXRG 283/4885
US-20240383895-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 RXRA 380/4885RXRB 311/4885RXRG 283/4885

“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.

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