SCHEMBL22831931

SCHEMBL22831931

Cc1c(Oc2c(F)ccc(N)c2F)ccc([N+](=O)[O-])c1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSPB1 P04792 3/20 0.33
▸ GRM6 O15303 1/20 0.33
▸ NR3C2 P08235 1/20 0.32
▸ ALDH3A1 P30838 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ AR P10275 2/20 0.30
▸ PGR P06401 1/20 0.30
▸ CYP3A4 P08684 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
SCHEMBL29562297 1.00 LMNA (0.35) LMNAPOLBSMN1; SMN2HSPB1GRM6
SCHEMBL29561773 0.90 LMNA (0.36) LMNAPOLBSMN1; SMN2HSPB1GRM6
SCHEMBL22832028 0.90 LMNA (0.36) LMNAPOLBSMN1; SMN2HSPB1GRM6
SCHEMBL22832025 0.89 HSPB1 (0.34) LMNAPOLBSMN1; SMN2HSPB1GRM6
SCHEMBL29562112 0.89 HSPB1 (0.34) LMNAPOLBSMN1; SMN2HSPB1GRM6
SCHEMBL22832068 0.87 GRM6 (0.38) POLBGRM6ALDH1A1
SCHEMBL29562072 0.84 GRM6 (0.35) LMNAPOLBSMN1; SMN2HSPB1GRM6
SCHEMBL22832130 0.84 GRM6 (0.35) LMNAPOLBSMN1; SMN2HSPB1GRM6
SCHEMBL22831871 0.84 LMNA (0.35) LMNAPOLBSMN1; SMN2HSPB1GRM6
SCHEMBL29561799 0.84 LMNA (0.35) LMNAPOLBSMN1; SMN2HSPB1GRM6

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 LMNA 444/4885POLB 2258/4885SMN1; SMN2 420/4885
US-11634409-B2 Compounds for the treatment of BRAF-associated diseases and disorders BRAF, NRAS, RAF1 LMNA 444/4885POLB 2258/4885SMN1; SMN2 420/4885
US-11414404-B2 Compounds for the treatment of BRAF-associated diseases and disorders BRAF, NRAS, RAF1 LMNA 444/4885POLB 2258/4885SMN1; SMN2 420/4885
US-20220289721-A1 COMPOUNDS FOR THE TREATMENT OF BRAF-ASSOCIATED DISEASES AND DISORDERS BRAF, NRAS, RAF1 LMNA 444/4885POLB 2258/4885SMN1; SMN2 420/4885

“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.

Send feedback