SCHEMBL22798665

SCHEMBL22798665

CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CC12CCN(C(=O)O)CC2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.37
HSD11B1 P28845 9/20 0.36
CTSK P43235 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP2C9 P11712 1/20 0.35
EPHX2 P34913 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
NAMPT P43490 2/20 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
SCHEMBL18321912 1.00 BTK (0.37) BTKHSD11B1CTSKCA1CA2
SCHEMBL16925376 0.90 EPHX2 (0.45) EPHX2NAMPT
SCHEMBL28804348 0.90 EPHX2 (0.45) EPHX2NAMPT
SCHEMBL18838439 0.89 CTSK (0.38) BTKHSD11B1CTSKCA1CA2
SCHEMBL18838482 0.89 CTSK (0.38) BTKHSD11B1CTSKCA1CA2
SCHEMBL22799108 0.89 BTK (0.36) BTKHSD11B1CTSKCA1CA2
SCHEMBL20337417 0.85 BTK (0.34) BTKHSD11B1CTSKCA1CA2
SCHEMBL20337372 0.85 BTK (0.34) BTKHSD11B1CTSKCA1CA2
SCHEMBL26170760 0.84 BTK (0.42) BTKHSD11B1CTSKCA1CA2
SCHEMBL18838483 0.83 CTSK (0.43) BTKHSD11B1CTSKCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3753941-B1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO LTD (CN) 2024-05-01 EP disclosed
US-20240101577-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2024-03-28 US disclosed
EP-3724189-B1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2023-10-04 EP disclosed
US-11673901-B2 Polycyclic compounds as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-06-13 US disclosed
US-11634435-B2 2023-04-25 US disclosed
US-11498930-B2 Pyrimidine-fused cyclic compound, preparation method therefor and application thereof Blueray Therapeutics (Shanghai) Co., Ltd (CN) 2022-11-15 US disclosed
US-20210053989-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2021-02-25 US disclosed
US-20200407372-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2020-12-31 US disclosed
EP-3753941-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Blueray Biopharma Co., Ltd. (CN) 2020-12-23 EP 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-11498930-B2 Pyrimidine-fused cyclic compound, preparation method therefor and application thereof PTPN11, PPM1F, PTPRF BTK 194/4885HSD11B1 718/4885CTSK 4253/4885
US-11673901-B2 Polycyclic compounds as allosteric SHP2 inhibitors PTPN18, PTPN1, PTPRJ BTK 65/4885HSD11B1 2819/4885CTSK 4328/4885
US-20240101577-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN18, PTPN1, PTPRJ BTK 65/4885HSD11B1 2819/4885CTSK 4328/4885
US-11634435-B2 PTPN18, PTPN6, PTPN5 BTK 59/4885HSD11B1 2763/4885CTSK 3941/4885
US-20210053989-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF PTPN11, PPM1F, PTPRF BTK 194/4885HSD11B1 718/4885CTSK 4253/4885
US-20200407372-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN18, PTPN1, PTPRJ BTK 65/4885HSD11B1 2819/4885CTSK 4328/4885

“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.