SCHEMBL23634150

SCHEMBL23634150

CC(C)CC(=O)N[C@H]1C[C@H](C)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 1/20 0.36
KDM5A P29375 1/20 0.36
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.34
EPHX1 P07099 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL24973934 1.00 RAB9A (0.38) RAB9ACYP3A4HPGDCYP2C19SMN1; SMN2
SCHEMBL18199502 0.90 RAB9A (0.41) RAB9ACYP3A4HPGDCYP2C19SMN1; SMN2
SCHEMBL19864588 0.84 RAB9A (0.43) RAB9ACYP3A4HPGDCYP2C19SMN1; SMN2
SCHEMBL15014593 0.82 EPHX1 (0.48) RAB9ACYP3A4HPGDCYP2C19SMN1; SMN2
SCHEMBL15014614 0.82 EPHX1 (0.48) RAB9ACYP3A4HPGDCYP2C19SMN1; SMN2
SCHEMBL18199497 0.81 RAB9A (0.49) RAB9ACYP3A4HPGDCYP2C19SMN1; SMN2
SCHEMBL5067337 0.81 RAB9A (0.49) RAB9ACYP3A4HPGDCYP2C19SMN1; SMN2
SCHEMBL24973923 0.81 RAB9A (0.36) RAB9ACYP3A4HPGDCYP2C19SMN1; SMN2
SCHEMBL21502030 0.80 KDM5A (0.32) KDM5A
SCHEMBL20340487 0.79 RAB9A (0.36) RAB9ACYP3A4HPGDCYP2C19SMN1; SMN2

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 4 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

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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP RAB9A 1576/4885CYP3A4 1627/4885HPGD 34/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP RAB9A 1576/4885CYP3A4 1627/4885HPGD 34/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP RAB9A 1576/4885CYP3A4 1627/4885HPGD 34/4885

“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.