SCHEMBL21722183

SCHEMBL21722183

CSc1nc2c(c(N3CCN(C(=O)OC(C)(C)C)CC3)n1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
SPR P35270 1/20 0.41
KMT2A Q03164 3/20 0.39
EHMT2 Q96KQ7 1/20 0.39
CXCR2 P25025 1/20 0.38
CKS1B P61024 2/20 0.38
SKP1 P63208 2/20 0.38
SKP2 Q13309 2/20 0.38
GAA P10253 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
TLR9 Q9NR96 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL19949022 0.85 CCNA2 (0.41) GBA1CCNA2CDK2SPRCXCR2
SCHEMBL21722244 0.84 CCNA2 (0.39) GBA1CCNA2CDK2SPRCXCR2
SCHEMBL30177806 0.84 CCNA2 (0.39) GBA1CCNA2CDK2SPRCXCR2
SCHEMBL21734104 0.83 GBA1 (0.44) GBA1SPREHMT2CKS1BSKP1
SCHEMBL23979654 0.83 GBA1 (0.39) GBA1CCNA2CDK2SPRCXCR2
SCHEMBL22720305 0.81 GBA1 (0.45) GBA1SPRKMT2AEHMT2CKS1B
SCHEMBL19964211 0.81 MTOR (0.45) GBA1CCNA2CDK2TLR9ALDH1A1
SCHEMBL21733677 0.81 GPR119 (0.45) GBA1SPREHMT2CKS1BSKP1
SCHEMBL23979677 0.80 CXCR2 (0.39) GBA1CCNA2CDK2CXCR2CKS1B
SCHEMBL30421626 0.79 TLR9 (0.43) GBA1KMT2ACKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112119075-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-12 CN disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-20230002345-A1 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-05 US disclosed
CN-112119075-A Fused ring compound 豪夫迈·罗氏有限公司 2020-12-22 CN disclosed
EP-3746436-A1 FUSED RING COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-12-09 EP disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 WO disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS GBA1 3958/4885CCNA2 526/4885CDK2 102/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS GBA1 3958/4885CCNA2 526/4885CDK2 102/4885

“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.