SCHEMBL342773

SCHEMBL342773

CCN1CCCC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CTSK P43235 2/20 0.53
BTK Q06187 2/20 0.50
JAK3 P52333 1/20 0.47
GAA P10253 2/20 0.46
CYP2C9 P11712 1/20 0.45
HSD11B1 P28845 1/20 0.45
EPHX1 P07099 2/20 0.45
MAP4K4 O95819 2/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
DRD2 P14416 2/20 0.42

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
SCHEMBL342772 1.00 CA1 (0.62) CA1CA2CTSKBTKJAK3
SCHEMBL20184622 1.00 CA1 (0.62) CA1CA2CTSKBTKJAK3
SCHEMBL26091580 0.96 CA1 (0.57) CA1CA2CTSKBTKJAK3
SCHEMBL3544236 0.91 CTSK (0.59) CA1CA2CTSKBTKCYP2C9
SCHEMBL12321230 0.91 CTSK (0.59) CA1CA2CTSKBTKCYP2C9
SCHEMBL3942865 0.91 CTSK (0.59) CA1CA2CTSKBTKCYP2C9
SCHEMBL21733136 0.89 CA1 (0.56) CA1CA2CTSKBTKJAK3
SCHEMBL29255478 0.89 CA1 (0.56) CA1CA2CTSKBTKJAK3
SCHEMBL29276213 0.86 CA1 (0.56) CA1CA2CTSKBTKJAK3
SCHEMBL28673367 0.86 CA1 (0.56) CA1CA2CTSKBTKJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN disclosed
CN-116917279-A BTK inhibitors 渤健马萨诸塞州股份有限公司 2023-10-20 CN disclosed
CN-116261456-A Compounds, compositions, and methods 戴纳立制药公司 2023-06-13 CN disclosed
WO-2021239885-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-12-02 WO disclosed
US-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 US disclosed
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 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 (3 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-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB CA1 1531/4885CA2 138/4885CTSK 3757/4885
US-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 CA1 2831/4885CA2 2245/4885CTSK 3569/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 CA1 2831/4885CA2 2245/4885CTSK 3569/4885

“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.