SCHEMBL17947056

SCHEMBL17947056

C=CC(=O)Nc1cccc(Nc2nc(Br)cn(C)c2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.53
▸ BTK Q06187 6/20 0.51
▸ ITK Q08881 4/20 0.50
▸ TGM2 P21980 1/20 0.49
▸ ERBB2 P04626 2/20 0.47
▸ FYN P06241 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ BLK P51451 1/20 0.47
▸ BMX P51813 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ ERBB4 Q15303 1/20 0.47

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
SCHEMBL16618592 0.84 BTK (0.55) EGFRBTKTGM2JAK3
SCHEMBL21275161 0.81 BRD4 (0.50) EGFRITKSRC
SCHEMBL14912418 0.78 ABL1 (0.43) EGFRSRC
SCHEMBL21275137 0.77 BTK (0.55) EGFRBTKBMXJAK3
SCHEMBL16144748 0.77 BRAF (0.45) EGFRBTKITKERBB2BLK
SCHEMBL15886528 0.76 BRD4 (0.43) BTK
SCHEMBL21365439 0.76 EGFR (0.42) EGFRBTKITKERBB2FYN
SCHEMBL21275233 0.75 BTK (0.42) EGFRBTKJAK3
SCHEMBL23165013 0.73 EGFR (0.53) EGFRJAK3
SCHEMBL21275167 0.73 JAK2 (0.51) EGFRBTKJAK3

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-20160214963-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE Beyond Oncology Pharmaceutical LLC (US) 2016-07-28 — — US disclosed
US-20160214963-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE Beyond Oncology Pharmaceutical LLC (US) 2016-07-28 — — 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-20160214963-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, SYK EGFR 837/4885BTK 1/4885ITK 355/4885

“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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