SCHEMBL9549445

SCHEMBL9549445

COc1c(F)c(F)cc(Br)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
PTGS2 P35354 2/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ACLY P53396 1/20 0.30
TUBB1 Q9H4B7 1/20 0.30
TPMT P51580 1/20 0.30

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
SCHEMBL5704414 0.86 CA2 (0.39) CA2CA4PTGS2HSD17B10TUBB1
SCHEMBL9804695 0.84 CA2 (0.42) CA2CA4PTGS2ALOX5APFEN1
SCHEMBL24536232 0.82 POLB (0.39) CA2CA4PTGS2TUBB1
SCHEMBL9377977 0.81 CA2 (0.41) CA2CA4PTGS2ALOX5APFEN1
SCHEMBL31015964 0.81 CA2 (0.41) CA2CA4PTGS2ALOX5APFEN1
SCHEMBL22341925 0.78 CA2 (0.39) CA2CA4ALOX5APFEN1HSD17B10
SCHEMBL6923912 0.78 CA2 (0.43) CA2CA4PTGS2HSD17B10ACLY
SCHEMBL27628106 0.78 CA2 (0.43) CA2CA4ALOX5APFEN1HSD17B10
SCHEMBL4589673 0.77 CA2 (0.46) CA2CA4PTGS2ALOX5APFEN1
SCHEMBL22832058 0.76 GAA (0.35) PTGS2HSD17B10TUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5194315-A None JP 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-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 US 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
JP-H05194315-A PRODUCTION OF 2-CHLORO-4,5-DIFLUORO-3-METHOXYBENZOIC ACID KYORIN PHARMACEUT CO LTD 1993-08-03 JP 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-20200407344-A1 COMPOUNDS FOR THE TREATMENT OF BRAF-ASSOCIATED DISEASES AND DISORDERS BRAF, NRAS, RAF1 CA2 3702/4885CA4 2672/4885PTGS2 4712/4885
US-11634409-B2 Compounds for the treatment of BRAF-associated diseases and disorders BRAF, NRAS, RAF1 CA2 3702/4885CA4 2672/4885PTGS2 4712/4885
US-11414404-B2 Compounds for the treatment of BRAF-associated diseases and disorders BRAF, NRAS, RAF1 CA2 3702/4885CA4 2672/4885PTGS2 4712/4885
US-20220289721-A1 COMPOUNDS FOR THE TREATMENT OF BRAF-ASSOCIATED DISEASES AND DISORDERS BRAF, NRAS, RAF1 CA2 3702/4885CA4 2672/4885PTGS2 4712/4885
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 PTPN1, PTPN9, PTPN7 CA2 1843/4885CA4 3053/4885PTGS2 4649/4885

“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.