SCHEMBL21492870

SCHEMBL21492870

O=C(O)N[C@H]1C[C@H](Oc2ncc(F)cn2)C1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.33
PIK3CD O00329 1/20 0.32
CYP11B2 P19099 2/20 0.31
CYP11B1 P15538 1/20 0.31
GRM5 P41594 4/20 0.31
TNKS2 Q9H2K2 3/20 0.31
MKNK1 Q9BUB5 1/20 0.31
LMNA P02545 1/20 0.31
HMOX1 P09601 1/20 0.30
ACACB O00763 3/20 0.30
TNKS O95271 1/20 0.30
CHRM5 P08912 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
SCHEMBL21503379 0.81 PIK3CD (0.45) EPHX2PIK3CD
SCHEMBL9984647 0.78 CNR1 (0.35) PIK3CDACACB
SCHEMBL9984652 0.78 CNR1 (0.35) PIK3CDACACB
SCHEMBL26690564 0.78 CYP11B2 (0.33) CYP11B2CYP11B1
SCHEMBL23924382 0.75 GRIN1 (0.48) EPHX2TNKS2
SCHEMBL23924384 0.75 GRIN1 (0.48) EPHX2TNKS2
SCHEMBL23924020 0.75 EPHX2 (0.54) EPHX2LMNA
SCHEMBL23924019 0.75 EPHX2 (0.54) EPHX2LMNA
SCHEMBL9282585 0.75 EPHX2 (0.49) EPHX2
SCHEMBL9282584 0.75 EPHX2 (0.49) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
EP-3784669-A1 PTERIDINONE COMPOUNDS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2021-03-03 EP disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 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 (4 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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP EPHX2 2853/4885PIK3CD 1645/4885CYP11B2 50/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP EPHX2 2853/4885PIK3CD 1645/4885CYP11B2 50/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP EPHX2 2853/4885PIK3CD 1645/4885CYP11B2 50/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP EPHX2 2853/4885PIK3CD 1645/4885CYP11B2 50/4885

“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.