SCHEMBL22832010

SCHEMBL22832010

CCCS(=O)(=O)Nc1cc(Cl)cc(Br)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.44
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
HTR6 P50406 1/20 0.38
BRD4 O60885 1/20 0.38
S100A9 P06702 1/20 0.38
PTGES2 Q9H7Z7 2/20 0.36

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
SCHEMBL22832067 0.85 BRAF (0.46) BRAFCYP3A4CYP2C9CYP2C19PTGES2
SCHEMBL6519269 0.85 CYP3A4 (0.49) BRAFCYP3A4CYP2C9CYP2C19PTGS1
SCHEMBL6524486 0.78 BRAF (0.45) BRAFCYP3A4CYP2C9CYP2C19PTGS1
SCHEMBL28013701 0.78 CYP3A4 (0.57) BRAFCYP3A4CYP2C9CYP2C19PTGS1
SCHEMBL31388990 0.74 CYP3A4 (0.45) BRAFCYP3A4CYP2C9CYP2C19PTGS1
SCHEMBL12072959 0.74 BRAF (0.41) BRAFPTGS1PTGS2
SCHEMBL20523613 0.73 ALDH1A1 (0.41) BRAFCYP3A4CYP2C9CYP2C19PTGS1
SCHEMBL1462088 0.73 CYP3A4 (0.49) BRAFCYP3A4CYP2C9CYP2C19PTGS1
SCHEMBL18043659 0.73 CYP3A4 (0.56) BRAFCYP3A4CYP2C9CYP2C19
SCHEMBL20523637 0.72 BRD4 (0.41) BRAFCYP3A4CYP2C9CYP2C19PTGS1

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
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
CN-114026073-A Quinazolin-4-one derivatives for the treatment of BRAF related diseases and disorders ARRAY生物制药公司 2022-02-08 CN 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 BRAF 1/4885CYP3A4 1823/4885CYP2C9 1687/4885
US-11634409-B2 Compounds for the treatment of BRAF-associated diseases and disorders BRAF, NRAS, RAF1 BRAF 1/4885CYP3A4 1823/4885CYP2C9 1687/4885
US-11414404-B2 Compounds for the treatment of BRAF-associated diseases and disorders BRAF, NRAS, RAF1 BRAF 1/4885CYP3A4 1823/4885CYP2C9 1687/4885
US-20220289721-A1 COMPOUNDS FOR THE TREATMENT OF BRAF-ASSOCIATED DISEASES AND DISORDERS BRAF, NRAS, RAF1 BRAF 1/4885CYP3A4 1823/4885CYP2C9 1687/4885

“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.