SCHEMBL24973995

SCHEMBL24973995

CCCC(C)Cc1cnccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
LIMK1 P53667 1/20 0.34
FAAH O00519 1/20 0.34
EPHX2 P34913 2/20 0.33
PPARG P37231 2/20 0.33
CYP3A4 P08684 2/20 0.33
CD38 P28907 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
GPBAR1 Q8TDU6 2/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL21503552 0.84 SCD (0.40) SCDSCD5ALDH1A1GRIN1GRIN2B
SCHEMBL21503665 0.80 ALDH1A1 (0.38) SCDSCD5ALDH1A1GRIN1GRIN2B
SCHEMBL21535764 0.78 ALOX5AP (0.36) SCDSCD5ALDH1A1FAAHEPHX2
SCHEMBL21503557 0.77 CYP2E1 (0.41) SCDSCD5ALDH1A1GRIN1GRIN2B
SCHEMBL8403256 0.77 ALDH1A1 (0.48) SCDSCD5ALDH1A1GRIN1GRIN2B
SCHEMBL23082973 0.75 LIMK1 (0.38) SCDSCD5ALDH1A1LIMK1LMNA
SCHEMBL24973994 0.75 ALDH1A1 (0.34) SCDSCD5ALDH1A1LIMK1MAPT
SCHEMBL844759 0.73 GRIN1 (0.37) SCDSCD5ALDH1A1GRIN1GRIN2B
SCHEMBL21503641 0.72 PDE3B (0.39) SCDSCD5ALDH1A1CYP3A4MAPT
SCHEMBL24988968 0.72 LIMK1 (0.35) ALDH1A1LIMK1LMNAMAPTMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 SCD 2906/4885SCD5 1480/4885ALDH1A1 569/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP SCD 2906/4885SCD5 1480/4885ALDH1A1 569/4885

“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.