Sugi Predict

Sugi Predict / Compounds / SCHEMBL23218172

SCHEMBL23218172

SCHEMBL23218172

CCOC(=O)Cc1ccccc1OCc1nn(C)c2ccc(Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 1/20 0.47
▸ TBXAS1 P24557 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ELANE P08246 4/20 0.42
▸ PTGER1 P34995 5/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ PAK4 O96013 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ RET P07949 1/20 0.39
▸ MET P08581 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ GRK5 P34947 1/20 0.39
▸ MAP2K2 P36507 1/20 0.39
▸ FLT3 P36888 1/20 0.39

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
SCHEMBL29591729 1.00 CFD (0.47) CFDTBXAS1SMN1; SMN2ELANEPTGER1
SCHEMBL29122101 0.90 CFD (0.46) CFDTBXAS1SMN1; SMN2ELANEPTGER1
SCHEMBL29122620 0.89 CFD (0.47) CFDTBXAS1SMN1; SMN2ELANEPTGER1
SCHEMBL23218085 0.89 ELANE (0.40) CFDTBXAS1SMN1; SMN2ELANEPTGER1
SCHEMBL29121850 0.89 CFD (0.47) CFDTBXAS1SMN1; SMN2ELANEPTGER1
SCHEMBL29122230 0.89 CFD (0.47) CFDTBXAS1SMN1; SMN2ELANEPTGER1
SCHEMBL29122052 0.88 CFD (0.44) CFDTBXAS1SMN1; SMN2ELANEPTGER1
SCHEMBL23219069 0.88 CFD (0.47) CFDTBXAS1ELANEPTGER1JAK2
SCHEMBL23219066 0.88 CFD (0.46) CFDTBXAS1SMN1; SMN2ELANEPTGER1
SCHEMBL29852637 0.88 CFD (0.47) CFDTBXAS1ELANEPTGER1JAK2

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
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 — — US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 — — US disclosed
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 — — CN disclosed
EP-4041238-A1 ORAL COMPLEMENT FACTOR D INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-08-17 — — EP disclosed
CN-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 — — CN disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 — — WO disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 — — WO disclosed
US-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY ACADIA PHARMACEUTICALS INC. 2016-12-15 — — US 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 (2 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 CFD 3529/4885TBXAS1 2084/4885SMN1; SMN2 4845/4885
US-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 CFD 4300/4885TBXAS1 2067/4885SMN1; SMN2 385/4885

“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.