SCHEMBL21491889

SCHEMBL21491889

O=C(O)NCc1cnn(Cc2ccc(C(F)(F)F)nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 12/20 0.44
NAMPT P43490 1/20 0.42
PPARD Q03181 1/20 0.42
GLS O94925 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
EGLN1 Q9GZT9 2/20 0.39
EGLN2 Q96KS0 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL21491800 0.87 KLKB1 (0.42) KLKB1NAMPTPPARDGLSTRPV1
Trifluoroacetic Acid SCHEMBL21492407 0.85 PPARD (0.42) KLKB1NAMPTPPARDGLSEGLN1
Trifluoroacetic Acid SCHEMBL30056789 0.85 PPARD (0.42) KLKB1NAMPTPPARDGLSEGLN1
SCHEMBL24400371 0.85 HDAC3 (0.42) KLKB1NAMPTPPARDGLS
SCHEMBL30744352 0.85 HDAC3 (0.42) KLKB1NAMPTPPARDGLS
SCHEMBL22501639 0.83 TRPV1 (0.52) NAMPTGLSTRPV1SCN5ASCN9A
SCHEMBL28529563 0.83 KLKB1 (0.39) KLKB1NAMPTPPARDGLSTRPV1
SCHEMBL21491519 0.83 GLS (0.38) KLKB1PPARDGLS
SCHEMBL21492287 0.81 GAA (0.47) KLKB1NAMPT
SCHEMBL21492711 0.81 PPARD (0.42) NAMPTPPARDGLSTRPV1EGLN1

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 KLKB1 630/4885NAMPT 14/4885PPARD 159/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP KLKB1 630/4885NAMPT 14/4885PPARD 159/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP KLKB1 630/4885NAMPT 14/4885PPARD 159/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP KLKB1 630/4885NAMPT 14/4885PPARD 159/4885

“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.