SCHEMBL23036780

SCHEMBL23036780

CN(C(=O)OC1CCC1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.37
HSD11B1 P28845 1/20 0.34
CYP19A1 P11511 1/20 0.33
EPHX1 P07099 2/20 0.33
CHRM3 P20309 2/20 0.32
BCHE P06276 3/20 0.31
CACNA1B Q00975 1/20 0.31
HPGD P15428 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
NAAA Q02083 1/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL27813326 0.78 BTK (0.38) BTKHSD11B1EPHX1CHRM3BCHE
SCHEMBL8737769 0.78 HDAC6 (0.39) HSD11B1SMN1; SMN2
SCHEMBL19133124 0.77 NAAA (0.37) HSD11B1CYP19A1EPHX1BCHECACNA1B
SCHEMBL20763031 0.77 CYP19A1 (0.35) BTKHSD11B1CYP19A1EPHX1CHRM3
SCHEMBL22068055 0.77 CYP19A1 (0.35) BTKHSD11B1CYP19A1EPHX1CHRM3
SCHEMBL26664320 0.76 BTK (0.35) BTKHSD11B1EPHX1CHRM3HPGD
SCHEMBL9873641 0.76 HDAC6 (0.36)
Adamantane SCHEMBL135442 0.75 HSD11B1 (0.43) BTKHSD11B1CHRM3CHRM2CHRM1
SCHEMBL15565387 0.75 EPHX1 (0.37) EPHX1CHRM3BCHECHRM1NAAA
SCHEMBL26635790 0.75 BTK (0.39) BTKCYP19A1EPHX1CHRM3CACNA1B

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
US-12384790-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-08-12 US disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-11-17 US disclosed
EP-3784669-A1 PTERIDINONE COMPOUNDS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2021-03-03 EP disclosed
CN-102112467-B Pyrimidine derivative as kinase inhibitors IRM LLC 2014-04-30 CN disclosed
CN-102762549-A Phthalazinone derivative, and preparation method and pharmaceutical use thereof SHANGHAI HENGRUI PHARM CO LTD 2012-10-31 CN disclosed
CN-102372698-A Phthalazinone derivative and its preparation method and use in medicine JIANGSU HENGRUI MEDICINE CO 2012-03-14 CN disclosed
CN-102112467-A Compounds and compositions as kinase inhibitors IRM LLC 2011-06-29 CN 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-20220363685-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP BTK 2261/4885HSD11B1 417/4885CYP19A1 186/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP BTK 2261/4885HSD11B1 417/4885CYP19A1 186/4885
US-12384790-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP BTK 2261/4885HSD11B1 417/4885CYP19A1 186/4885

“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.