SCHEMBL21492759

SCHEMBL21492759

O=C(O)N[C@H]1C[C@@H](Nc2cnc(C(F)(F)F)cn2)C1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.48
HCRTR2 O43614 2/20 0.42
CCNK O75909 1/20 0.42
CDK12 Q9NYV4 1/20 0.42

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
SCHEMBL26693505 0.82 HCRTR1 (0.45) HCRTR1CCNKCDK12
SCHEMBL30744422 0.82 HCRTR1 (0.45) HCRTR1CCNKCDK12
SCHEMBL21503414 0.82 HCRTR1 (0.45) HCRTR1CCNKCDK12
SCHEMBL17007228 0.80 HCRTR1 (0.69) HCRTR1
SCHEMBL21491972 0.78 HCRTR1 (0.44) HCRTR1CCNKCDK12
SCHEMBL21491975 0.78 HCRTR1 (0.44) HCRTR1CCNKCDK12
SCHEMBL30744401 0.78 HCRTR1 (0.44) HCRTR1CCNKCDK12
SCHEMBL28524858 0.77 HCRTR1 (0.43) HCRTR1HCRTR2CCNKCDK12
Hydrochloric Acid SCHEMBL21491928 0.77 HCRTR1 (0.43) HCRTR1CCNKCDK12
Hydrochloric Acid SCHEMBL21491930 0.77 HCRTR1 (0.43) HCRTR1CCNKCDK12

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 HCRTR1 4246/4885HCRTR2 4665/4885CCNK 99/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP HCRTR1 4246/4885HCRTR2 4665/4885CCNK 99/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP HCRTR1 4246/4885HCRTR2 4665/4885CCNK 99/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP HCRTR1 4246/4885HCRTR2 4665/4885CCNK 99/4885

“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.