SCHEMBL21491676

SCHEMBL21491676

C=C(C)c1nc(C(F)(F)F)ccc1Cn1cc(CNC(=O)O)cn1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 15/20 0.38
SCD5 Q86SK9 1/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL21491877 0.92 KLKB1 (0.39) KLKB1POLBTSHR
SCHEMBL30744368 0.88 TRPV1 (0.37) KLKB1SCD5
SCHEMBL21503327 0.88 TRPV1 (0.37) KLKB1SCD5
SCHEMBL21492743 0.83 SCD5 (0.35) KLKB1SCD5
SCHEMBL30744336 0.83 SCD5 (0.35) KLKB1SCD5
Hydrochloric Acid SCHEMBL30744587 0.82 SCD5 (0.34) KLKB1SCD5
Hydrochloric Acid SCHEMBL21492264 0.82 SCD5 (0.34) KLKB1SCD5
SCHEMBL28517876 0.81 SCD5 (0.35) SCD5
SCHEMBL21503392 0.80 TRPV1 (0.39) KLKB1
SCHEMBL30744485 0.80 TRPV1 (0.39) KLKB1

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 630/4885SCD5 1480/4885POLB 300/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP KLKB1 630/4885SCD5 1480/4885POLB 300/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP KLKB1 630/4885SCD5 1480/4885POLB 300/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP KLKB1 630/4885SCD5 1480/4885POLB 300/4885

“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.