SCHEMBL21492287

SCHEMBL21492287

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
KLKB1 P03952 9/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
KDM1A O60341 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
CYP2C9 P11712 1/20 0.41
NAMPT P43490 1/20 0.41
KLK1 P06870 2/20 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
SCHEMBL30060309 0.83 HDAC3 (0.46) GAAMAPTKLKB1L3MBTL1HDAC6
SCHEMBL3704245 0.82 L3MBTL1 (0.56) GAAMAPTL3MBTL1KDM1AALDH1A1
SCHEMBL21491889 0.81 KLKB1 (0.44) KLKB1NAMPT
SCHEMBL21492752 0.81 KLKB1 (0.44) GAAKLKB1KLK1
SCHEMBL3470506 0.81 GAA (0.48) GAAMAPTHSD17B10L3MBTL1ALDH1A1
SCHEMBL3085028 0.79 GAA (0.55) GAAMAPTHSD17B10L3MBTL1MEN1
SCHEMBL21503590 0.79 GAA (0.52) GAAMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL3097121 0.78 ALDH1A1 (0.50) GAAMAPTHSD17B10L3MBTL1ALDH1A1
SCHEMBL3097434 0.78 GAA (0.56) GAAMAPTL3MBTL1KMT2A
SCHEMBL19252878 0.77 LMNA (0.57) MAPTKLKB1HSD17B10ALDH1A1KDM4E

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 GAA 2063/4885MAPT 3935/4885KLKB1 630/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP GAA 2063/4885MAPT 3935/4885KLKB1 630/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP GAA 2063/4885MAPT 3935/4885KLKB1 630/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP GAA 2063/4885MAPT 3935/4885KLKB1 630/4885

“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.