SCHEMBL31359000

SCHEMBL31359000

C[C@@H](NC(=O)C1(n2c(=O)[nH]c3ccc(F)c(F)c3c2=O)CC1)c1ncc(C#N)cc1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 2/20 0.34
▸ PDPK1 O15530 1/20 0.33
▸ BDKRB1 P46663 9/20 0.33
▸ KIT P10721 4/20 0.32
▸ JAK2 O60674 2/20 0.31
▸ JAK1 P23458 2/20 0.31
▸ TYK2 P29597 2/20 0.31
▸ JAK3 P52333 2/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRL1 P41146 1/20 0.31

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
SCHEMBL31359016 1.00 S1PR3 (0.34) S1PR3PDPK1BDKRB1KITJAK2
SCHEMBL31359052 0.89 KIT (0.33) S1PR3PDPK1BDKRB1KITOPRM1
SCHEMBL31358994 0.89 KIT (0.33) S1PR3PDPK1BDKRB1KITOPRM1
SCHEMBL31359019 0.81 PDPK1 (0.36) S1PR3PDPK1KITJAK2JAK3
SCHEMBL31161003 0.81 PDPK1 (0.36) S1PR3PDPK1KITJAK2JAK3
SCHEMBL31145998 0.75 S1PR3 (0.35) S1PR3PDPK1BDKRB1KITJAK2
SCHEMBL31145937 0.75 S1PR3 (0.35) S1PR3PDPK1BDKRB1KITJAK2
SCHEMBL31359114 0.75 ITGB1 (0.36) S1PR3PDPK1KITJAK2JAK3
SCHEMBL31359030 0.75 ITGB1 (0.36) S1PR3PDPK1KITJAK2JAK3
SCHEMBL31146188 0.74 S1PR3 (0.36) S1PR3PDPK1KIT

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-12559464-B2 Quinazolinone dione compounds and uses thereof EDGEWISE THERAPEUTICS, INC. (US) 2026-02-24 — — US disclosed
US-20250026726-A1 QUINAZOLINONE DIONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. 2025-01-23 — — 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-20250026726-A1 QUINAZOLINONE DIONE COMPOUNDS AND USES THEREOF TNNI3, TNNT2, MYLK2 S1PR3 4520/4885PDPK1 505/4885BDKRB1 1015/4885
US-12559464-B2 Quinazolinone dione compounds and uses thereof TNNI3, TNNT2, TNNC1 S1PR3 3322/4885PDPK1 2973/4885BDKRB1 869/4885

“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.

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