SCHEMBL13178751

SCHEMBL13178751

COCCOc1cc(Nc2cc(Br)cn(C)c2=O)ccc1OCCO

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 4/20 0.37
▸ POLB P06746 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ BRDT Q58F21 1/20 0.35
▸ EGFR P00533 5/20 0.35
▸ FBP1 P09467 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ CECR2 Q9BXF3 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ BRPF1 P55201 2/20 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
SCHEMBL13139768 0.84 DUT (0.34) BRD4BRDTEGFRFBP1HDAC3
SCHEMBL13425342 0.77 DUT (0.34) BRD4BRDTFBP1MAPTHSD17B10
SCHEMBL13178681 0.72 BTK (0.42) MAP2K1
SCHEMBL24375244 0.71 BTK (0.43) EGFR
SCHEMBL13591569 0.70 SYK (0.34) BRD4BRPF1
SCHEMBL13589878 0.69 SYK (0.31) —
SCHEMBL13531028 0.65 FDPS (0.67) POLBMAPT
SCHEMBL26222842 0.65 KDM4E (0.42) MAP2K1BRD4EGFRMAPT
SCHEMBL13650180 0.64 L3MBTL1 (0.53) POLBMAPT
SCHEMBL24374767 0.64 BTK (0.49) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 — — US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 — — US disclosed
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 — — US disclosed
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 — — 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-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN MAP2K1 449/4885POLB 2572/4885BRD4 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.

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