SCHEMBL16013981

SCHEMBL16013981

CO/N=C/c1c(Cl)cccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.36
▸ ERBB2 P04626 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ TBXA2R P21731 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36

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
SCHEMBL16013200 1.00 EGFR (0.36) EGFRERBB2ALDH1A1MEN1KMT2A
SCHEMBL10565358 0.87 SLC22A1 (0.46) EGFRERBB2ALDH1A1MEN1KMT2A
SCHEMBL13128180 0.87 SLC22A1 (0.46) EGFRERBB2ALDH1A1MEN1KMT2A
SCHEMBL19880486 0.80 NPSR1 (0.49) EGFRERBB2ALDH1A1MEN1KMT2A
SCHEMBL19594037 0.80 ALDH1A1 (0.40) EGFRERBB2ALDH1A1MEN1KMT2A
SCHEMBL23515197 0.79 AMY1A (0.44) EGFRERBB2ALDH1A1SMN1; SMN2POLB
SCHEMBL6734377 0.79 ALDH1A1 (0.42) EGFRERBB2ALDH1A1MEN1KMT2A
SCHEMBL23499941 0.79 AMY1A (0.44) EGFRERBB2ALDH1A1SMN1; SMN2POLB
SCHEMBL14572072 0.79 CYP1A2 (0.50) EGFRERBB2ALDH1A1MEN1KMT2A
SCHEMBL29625666 0.79 AMY1A (0.44) EGFRERBB2ALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964642-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-11-15 — — EP disclosed
EP-2964642-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-11-15 — — EP disclosed
US-9663494-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-05-30 — — US disclosed
US-9663494-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-05-30 — — US disclosed
US-9663494-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-05-30 — — US disclosed
EP-2964642-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2016-01-13 — — EP disclosed
US-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-12-31 — — US disclosed
US-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-12-31 — — US disclosed
US-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-12-31 — — US disclosed
WO-2014135474-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 — — WO disclosed
WO-2014135474-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 — — 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 (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-20150376166-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN EGFR 644/4885ERBB2 122/4885ALDH1A1 3619/4885

“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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