SCHEMBL24974005

SCHEMBL24974005

CCC(C)C(=O)Nc1ccc(C(F)(F)F)nc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.59
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA14 Q9ULX7 2/20 0.55
IDO1 P14902 2/20 0.45
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 2/20 0.43
USP30 Q70CQ3 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
CLK2 P49760 1/20 0.42
DYRK1A Q13627 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL21503711 0.87 CA1 (0.51) EPHX2CA1CA2CA7CA14
SCHEMBL21503709 0.85 MLYCD (0.53) EPHX2CA1CA2IDO1KDM4E
SCHEMBL20097426 0.80 ATM (0.53) EPHX2CA1CA2HSD17B10USP30
SCHEMBL16596228 0.80 SMARCA2 (0.54) CA1CA2CA7CA14
SCHEMBL24973910 0.78 CA1 (0.51) CA1CA2CA7CA14KDM4E
SCHEMBL24974008 0.78 CA1 (0.50) EPHX2CA1CA2CA7CA14
SCHEMBL20963255 0.78 CA1 (0.57) EPHX2CA1CA2CA7CA14
SCHEMBL9906890 0.77 KDM4E (0.55) EPHX2CA1CA2IDO1KDM4E
SCHEMBL5150082 0.76 CA1 (0.62) CA1CA2CA7CA14KMT2A
SCHEMBL29585632 0.76 TRPV1 (0.49) EPHX2USP30TRPV1CLK2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP EPHX2 2853/4885CA1 4651/4885CA2 4030/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP EPHX2 2853/4885CA1 4651/4885CA2 4030/4885

“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.