SCHEMBL31359019

SCHEMBL31359019

C[C@@H](NC(=O)Cn1c(=O)[nH]c2ccc(F)c(F)c2c1=O)c1ncc(C#N)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ S1PR3 Q99500 2/20 0.35
▸ GPR139 Q6DWJ6 5/20 0.35
▸ ITGB1 P05556 1/20 0.33
▸ ITGAV P06756 1/20 0.33
▸ ITGA5 P08648 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ MAP2K1 Q02750 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ CNR2 P34972 2/20 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
SCHEMBL31161003 1.00 PDPK1 (0.36) PDPK1JAK2JAK3S1PR3GPR139
SCHEMBL31359030 0.93 ITGB1 (0.36) PDPK1JAK2JAK3S1PR3GPR139
SCHEMBL31359083 0.93 ITGB1 (0.37) PDPK1JAK2JAK3S1PR3GPR139
SCHEMBL31359102 0.93 ITGB1 (0.37) PDPK1JAK2JAK3S1PR3GPR139
SCHEMBL31359114 0.93 ITGB1 (0.36) PDPK1JAK2JAK3S1PR3GPR139
SCHEMBL31359142 0.93 KDM4E (0.37) PDPK1JAK2JAK3S1PR3GPR139
SCHEMBL31359025 0.93 KDM4E (0.37) PDPK1JAK2JAK3S1PR3GPR139
SCHEMBL31359011 0.92 GPR139 (0.35) PDPK1S1PR3GPR139ITGB1ITGAV
SCHEMBL31358984 0.92 GPR139 (0.35) PDPK1S1PR3GPR139ITGB1ITGAV
SCHEMBL31359074 0.91 GPR139 (0.39) PDPK1JAK2JAK3S1PR3GPR139

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 PDPK1 505/4885JAK2 967/4885JAK3 1667/4885
US-12559464-B2 Quinazolinone dione compounds and uses thereof TNNI3, TNNT2, TNNC1 PDPK1 2973/4885JAK2 1832/4885JAK3 3184/4885

“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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