SCHEMBL21492250

SCHEMBL21492250

O=C(O)N[C@H]1C[C@@H](COc2cnc(C(F)(F)F)nc2)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 13/20 0.38
P2RX2 Q9UBL9 13/20 0.38
P2RX7 Q99572 1/20 0.33
FFAR1 O14842 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
RBP4 P02753 1/20 0.32

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
SCHEMBL21492249 1.00 P2RX3 (0.38) P2RX3P2RX2P2RX7FFAR1CHRNB2
SCHEMBL21503407 0.84 KMT2A (0.39) P2RX3P2RX2
SCHEMBL21491929 0.84 KMT2A (0.39) P2RX3P2RX2
SCHEMBL21492239 0.84 CHRNB2 (0.48) CHRNB2CHRNA4
SCHEMBL21492145 0.81 P2RX3 (0.38) P2RX3P2RX2
SCHEMBL28533487 0.76 PARP10 (0.35) P2RX3P2RX2FFAR1
SCHEMBL28533490 0.76 PARP10 (0.35) P2RX3P2RX2FFAR1
SCHEMBL21492176 0.76 P2RX3 (0.35) P2RX3P2RX2P2RX7FFAR1CHRNB2
SCHEMBL21492177 0.76 P2RX3 (0.35) P2RX3P2RX2P2RX7FFAR1CHRNB2
SCHEMBL21492093 0.76 CHRNB2 (0.35) P2RX3P2RX2CHRNB2CHRNA4

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 P2RX3 3242/4885P2RX2 3112/4885P2RX7 2326/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP P2RX3 3242/4885P2RX2 3112/4885P2RX7 2326/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP P2RX3 3242/4885P2RX2 3112/4885P2RX7 2326/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP P2RX3 3242/4885P2RX2 3112/4885P2RX7 2326/4885

“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.