SCHEMBL10201028

SCHEMBL10201028

Cc1cc(F)c2c(=O)n(C(C)(C)C)ccc2c1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL10183369 0.84 KDM4E (0.38) MAPTALDH1A1
SCHEMBL26800825 0.79 BRD9 (0.39) EGFR
SCHEMBL20365206 0.79 BTK (0.43)
SCHEMBL4069129 0.72 MEN1 (0.43) TP53MAPTALDH1A1
SCHEMBL4076792 0.69 KMT2A (0.41) MAPTALDH1A1
SCHEMBL21931145 0.69 CYP1A2 (0.39) TP53MAPTALDH1A1
SCHEMBL13139329 0.67 EGFR (0.39) EGFRTP53MAPTALDH1A1
SCHEMBL20371778 0.66 BTK (0.41)
SCHEMBL21238677 0.66
SCHEMBL12563132 0.65 MEN1 (0.35) MAPTALDH1A1

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-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 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 (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-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN EGFR 814/4885TP53 2496/4885MAPT 4109/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN EGFR 814/4885TP53 2496/4885MAPT 4109/4885

“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.