SCHEMBL21492239

SCHEMBL21492239

O=C(O)N[C@H]1C[C@@H](COc2ccc(C(F)(F)F)nc2)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
CHRNA7 P36544 3/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
SCN9A Q15858 10/20 0.41
CYP3A4 P08684 1/20 0.39
CYP3A5 P20815 1/20 0.39
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39
ATF4 P18848 1/20 0.38
ACACB O00763 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37

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
SCHEMBL24975371 0.85 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA7MRGPRX4SCN9A
SCHEMBL30057986 0.85 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA7MRGPRX4SCN9A
SCHEMBL21492249 0.84 P2RX3 (0.38) CHRNB2CHRNA4
SCHEMBL21492250 0.84 P2RX3 (0.38) CHRNB2CHRNA4
SCHEMBL26933497 0.82 LIPE (0.44) CHRNB2CHRNA4MRGPRX4SCN9A
SCHEMBL26933503 0.82 LIPE (0.44) CHRNB2CHRNA4MRGPRX4SCN9A
SCHEMBL21492257 0.80 CHRNA7 (0.46) CHRNB2CHRNA4CHRNA7MRGPRX4PLAAT3
SCHEMBL21503667 0.79 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA7MRGPRX4SCN9A
SCHEMBL29279746 0.78 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA7MRGPRX4SCN9A
SCHEMBL21492158 0.78 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA7MRGPRX4SCN9A

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 CHRNB2 4666/4885CHRNA4 4806/4885CHRNA7 4505/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP CHRNB2 4666/4885CHRNA4 4806/4885CHRNA7 4505/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP CHRNB2 4666/4885CHRNA4 4806/4885CHRNA7 4505/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP CHRNB2 4666/4885CHRNA4 4806/4885CHRNA7 4505/4885

“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.