SCHEMBL22831995

SCHEMBL22831995

CCCS(=O)(=O)Nc1cc(F)cc(Br)c1F

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
BRAF P15056 16/20 0.44
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.37

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
SCHEMBL22831949 0.86 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19BRAFBRD4
SCHEMBL22832067 0.85 BRAF (0.46) CYP3A4CYP2C9CYP2C19BRAFPTGES2
SCHEMBL6519269 0.85 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL1493844 0.81 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19BRAFBRD4
SCHEMBL29109184 0.79 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19BRAFBRD4
SCHEMBL1494445 0.78 CYP3A4 (0.55) CYP3A4CYP2C9CYP2C19BRAFBRD4
SCHEMBL912701 0.78 BRAF (0.54) CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL9930869 0.77 BRAF (0.53) CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL31112017 0.76 BRAF (0.38) BRAF
SCHEMBL20523497 0.73 CYP3A4 (0.39) CYP3A4CYP2C9CYP2C19BRAFBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024227104-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BRAF VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2024-10-31 WO disclosed
CN-114026073-B Quinazolin-4-one derivatives for the treatment of BRAF related diseases and disorders ARRAY生物制药公司 2024-08-23 CN disclosed
US-11634409-B2 Compounds for the treatment of BRAF-associated diseases and disorders ARRAY BIOPHARMA INC. (US) 2023-04-25 US disclosed
US-20220289721-A1 COMPOUNDS FOR THE TREATMENT OF BRAF-ASSOCIATED DISEASES AND DISORDERS ARRAY BIOPHARMA INC. (US) 2022-09-15 US disclosed
US-11414404-B2 Compounds for the treatment of BRAF-associated diseases and disorders ARRAY BIOPHARMA INC. (US) 2022-08-16 US disclosed
EP-3990437-A1 QUINAZOLIN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF BRAF-ASSOCIATED DISEASES AND DISORDERS Array Biopharma, Inc. (US) 2022-05-04 EP disclosed
US-20200407344-A1 COMPOUNDS FOR THE TREATMENT OF BRAF-ASSOCIATED DISEASES AND DISORDERS ARRAY BIOPHARMA INC. (US) 2020-12-31 US disclosed
WO-2020261156-A1 QUINAZOLIN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF BRAF-ASSOCIATED DISEASES AND DISORDERS ARRAY BIOPHARMA INC. (US) 2020-12-30 WO 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-20200407344-A1 COMPOUNDS FOR THE TREATMENT OF BRAF-ASSOCIATED DISEASES AND DISORDERS BRAF, NRAS, RAF1 CYP3A4 1823/4885CYP2C9 1687/4885CYP2C19 1448/4885
US-11634409-B2 Compounds for the treatment of BRAF-associated diseases and disorders BRAF, NRAS, RAF1 CYP3A4 1823/4885CYP2C9 1687/4885CYP2C19 1448/4885
US-11414404-B2 Compounds for the treatment of BRAF-associated diseases and disorders BRAF, NRAS, RAF1 CYP3A4 1823/4885CYP2C9 1687/4885CYP2C19 1448/4885
US-20220289721-A1 COMPOUNDS FOR THE TREATMENT OF BRAF-ASSOCIATED DISEASES AND DISORDERS BRAF, NRAS, RAF1 CYP3A4 1823/4885CYP2C9 1687/4885CYP2C19 1448/4885

“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.