SCHEMBL17893344

SCHEMBL17893344

COC(=O)C1CC1c1nc(Br)c2c(Cl)nccn12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.35
TNK2 Q07912 2/20 0.33
BTK Q06187 1/20 0.32
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL17893064 1.00 TBXAS1 (0.35) TBXAS1TNK2BTKSLC6A4SLC6A3
SCHEMBL17892415 0.81 TNK2 (0.45) TNK2BTK
SCHEMBL17893125 0.81 TNK2 (0.45) TNK2BTK
SCHEMBL28699569 0.81 TNK2 (0.51) TNK2
SCHEMBL17893361 0.81 BTK (0.40) TNK2BTK
SCHEMBL17893156 0.81 TNK2 (0.41) TNK2BTK
SCHEMBL17893155 0.81 TNK2 (0.41) TNK2BTK
SCHEMBL17893147 0.81 TNK2 (0.37) TNK2BTKSLC6A4SLC6A3
SCHEMBL17893269 0.78 BTK (0.35) TNK2BTK
SCHEMBL17893464 0.78 TBXAS1 (0.36) TBXAS1SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240572-B1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
US-10087188-B2 Benzamide imidazopyrazine Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-02 US disclosed
US-20170362242-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
EP-3240572-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP disclosed
WO-2016109223-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 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 (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-20170362242-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS BTK, SYK, ABL1 TBXAS1 646/4885TNK2 206/4885BTK 1/4885
US-10087188-B2 Benzamide imidazopyrazine Btk inhibitors BTK, SYK, ABL1 TBXAS1 646/4885TNK2 206/4885BTK 1/4885

“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.