SCHEMBL29915235

SCHEMBL29915235

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cnc(OC)nc4)cc23)c1F

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 10/20 0.83
CYP2D6 P10635 1/20 0.83
CYP2C9 P11712 11/20 0.82
CYP3A4 P08684 3/20 0.82
BRAF P15056 2/20 0.79
RIPK2 O43353 1/20 0.79
ABCB11 O95342 1/20 0.79
EGFR P00533 1/20 0.79
KRAS P01116 1/20 0.79
RAF1 P04049 1/20 0.79
PGR P06401 1/20 0.79
RET P07949 1/20 0.79
CHRM2 P08172 1/20 0.79
ADORA3 P0DMS8 1/20 0.79
ARAF P10398 1/20 0.79
CHRM1 P11229 1/20 0.79
CHRM3 P20309 1/20 0.79
FECH P22830 1/20 0.79
KDR P35968 1/20 0.79
MAP2K2 P36507 1/20 0.79

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
SCHEMBL298115 1.00 CYP2C19 (0.83) CYP2C19CYP2D6CYP2C9CYP3A4BRAF
SCHEMBL7874949 0.94 CYP2C9 (0.78) CYP2C19CYP2D6CYP2C9CYP3A4BRAF
SCHEMBL2163605 0.91 CYP2C19 (0.80) CYP2C19CYP2D6CYP2C9CYP3A4BRAF
SCHEMBL298253 0.91 CYP2C9 (0.71) CYP2C19CYP2D6CYP2C9CYP3A4BRAF
SCHEMBL297529 0.91 BRAF (0.83) CYP2C19CYP2D6CYP2C9CYP3A4BRAF
SCHEMBL299487 0.91 CYP2C19 (1.00) CYP2C19CYP2D6CYP2C9CYP3A4BRAF
SCHEMBL293377 0.91 CYP2C19 (1.00) CYP2C19CYP2D6CYP2C9CYP3A4BRAF
SCHEMBL298392 0.91 CYP2C9 (0.81) CYP2C19CYP2D6CYP2C9CYP3A4BRAF
SCHEMBL297952 0.90 CYP2C19 (0.79) CYP2C19CYP2D6CYP2C9CYP3A4BRAF
SCHEMBL720593 0.90 CYP2C19 (0.82) CYP2C19CYP2D6CYP2C9CYP3A4BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2025-10-09 US disclosed
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2025-06-24 US disclosed
US-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2023-05-04 US disclosed
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2022-11-08 US disclosed
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2022-09-20 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 (5 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-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT CYP2C19 1536/4885CYP2D6 349/4885CYP2C9 871/4885
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT CYP2C19 1536/4885CYP2D6 349/4885CYP2C9 871/4885
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT CYP2C19 1536/4885CYP2D6 349/4885CYP2C9 871/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 CYP2C19 4082/4885CYP2D6 2582/4885CYP2C9 4092/4885
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT CYP2C19 1536/4885CYP2D6 349/4885CYP2C9 871/4885

“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.