SCHEMBL22831795

SCHEMBL22831795

Cc1c(Br)ccc2ncn(CC3CC3)c(=O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.47
HSD17B13 Q7Z5P4 1/20 0.43
SIGMAR1 Q99720 1/20 0.40
CYP11B2 P19099 1/20 0.38
GRM1 Q13255 2/20 0.37
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CYP2D6 P10635 2/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
CYP1B1 Q16678 1/20 0.35
GABRG2 P18507 5/20 0.34
GABRB3 P28472 5/20 0.34
GABRA5 P31644 5/20 0.34
KCNH2 Q12809 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL22831827 0.82 GSK3A (0.50) BRAFCDK1CCNB1GSK3AGSK3B
SCHEMBL22832076 0.77 BRAF (0.47) BRAFCDK1CCNB1GSK3AGSK3B
SCHEMBL22831824 0.77 CLK1 (0.47) BRAFGRM1
SCHEMBL31723351 0.77 HSD17B13 (0.42) BRAFHSD17B13SIGMAR1GRM1CYP2D6
SCHEMBL22831881 0.76 BRAF (0.48) BRAFHSD17B13CYP11B2
SCHEMBL22831920 0.76 KMT2A (0.48) BRAFCDK1CCNB1GSK3AGSK3B
SCHEMBL29563094 0.76 BRAF (0.48) BRAFHSD17B13CYP11B2
SCHEMBL22831859 0.75 HCAR1 (0.47) BRAFGRM1
SCHEMBL22831932 0.75 HCAR1 (0.47) BRAFGRM1
SCHEMBL22831813 0.74 BRAF (0.41) BRAF

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
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-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
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
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 1/4885HSD17B13 3212/4885SIGMAR1 1584/4885
US-11634409-B2 Compounds for the treatment of BRAF-associated diseases and disorders BRAF, NRAS, RAF1 BRAF 1/4885HSD17B13 3212/4885SIGMAR1 1584/4885
US-11414404-B2 Compounds for the treatment of BRAF-associated diseases and disorders BRAF, NRAS, RAF1 BRAF 1/4885HSD17B13 3212/4885SIGMAR1 1584/4885
US-20220289721-A1 COMPOUNDS FOR THE TREATMENT OF BRAF-ASSOCIATED DISEASES AND DISORDERS BRAF, NRAS, RAF1 BRAF 1/4885HSD17B13 3212/4885SIGMAR1 1584/4885

“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.