SCHEMBL20006842

SCHEMBL20006842

N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 1.00
CDK1 P06493 5/20 1.00
CDK2 P24941 5/20 1.00
JAK3 P52333 5/20 1.00
KDR P35968 4/20 1.00
PTK2 Q05397 3/20 1.00
IGF1R P08069 3/20 1.00
JAK2 O60674 3/20 1.00
NTRK1 P04629 3/20 1.00
CDC7 O00311 2/20 1.00
PLK4 O00444 2/20 1.00
CHEK1 O14757 2/20 1.00
AURKA O14965 2/20 1.00
DCLK1 O15075 2/20 1.00
PDPK1 O15530 2/20 1.00
DAPK3 O43293 2/20 1.00
ROCK2 O75116 2/20 1.00
MAP4K4 O95819 2/20 1.00
PAK4 O96013 2/20 1.00
CHEK2 O96017 2/20 1.00

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
SCHEMBL4007188 0.90 SYK (0.81) SYKCDK1CDK2JAK3KDR
SCHEMBL4001373 0.90 JAK3 (0.81) SYKCDK1CDK2JAK3KDR
SCHEMBL20006841 0.84 SYK (0.72) SYKCDK1CDK2JAK3KDR
SCHEMBL4002229 0.83 SYK (0.71) SYKCDK1CDK2JAK3KDR
SCHEMBL1474170 0.83 JAK3 (0.70) SYKCDK1CDK2JAK3KDR
SCHEMBL5025579 0.81 SYK (0.68) SYKCDK1CDK2JAK3KDR
SCHEMBL1474794 0.80 SYK (0.67) SYKCDK1CDK2JAK3KDR
SCHEMBL1475188 0.80 JAK3 (0.67) SYKCDK1CDK2JAK3KDR
SCHEMBL1474824 0.80 JAK3 (0.74) SYKCDK1CDK2JAK3KDR
SCHEMBL4001007 0.80 SYK (0.67) SYKCDK1CDK2JAK3KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190275040-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE UNIV YALE (US) 2019-09-12 US disclosed
WO-2018058098-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE YALE UNIVERSITY (US) 2018-03-29 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 (1 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-20190275040-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE FYN, DAPK2, DAPK1 SYK 187/4885CDK1 1346/4885CDK2 787/4885

“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.