SCHEMBL17800127

SCHEMBL17800127

CC(NC(=O)O[C@@H](Cc1ccccc1)c1ccccc1)c1nc(Br)c2c(N)nccn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.38
▸ TNK2 Q07912 3/20 0.38
▸ TEC P42680 6/20 0.37
▸ TXK P42681 6/20 0.37
▸ BMX P51813 6/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ EGFR P00533 3/20 0.35
▸ ITK Q08881 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ RET P07949 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ IGF1R P08069 2/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ GHSR Q92847 1/20 0.33

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
SCHEMBL17800128 1.00 BTK (0.38) BTKTNK2TECTXKBMX
SCHEMBL18849915 0.85 ATM (0.47) BTKTNK2
SCHEMBL20550584 0.85 ATM (0.47) BTKTNK2
SCHEMBL28623986 0.78 BTK (0.42) BTKTNK2TECTXKBMX
SCHEMBL20550691 0.72 BTK (0.41) BTKTNK2TECTXKBMX
SCHEMBL30468175 0.69 TNK2 (0.48) BTKTNK2IGF1R
SCHEMBL18849709 0.69 TNK2 (0.41) BTKTNK2TECTXKBMX
SCHEMBL14636998 0.68 BTK (0.41) BTKTNK2TECTXKBMX
SCHEMBL18099733 0.67 ABL1 (0.53) BTKTNK2ABL1SRCRET
SCHEMBL18849914 0.66 ABL1 (0.43) BTKTNK2ABL1SRCRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160159810-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2016-06-09 — — 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 (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-20160159810-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AND 4-IMIDAZOTRIAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, ABL1, SYK BTK 1/4885TNK2 287/4885TEC 16/4885

“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.

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