SCHEMBL16814432

SCHEMBL16814432

Cc1cc(Oc2cccc(F)c2F)cc(C)c1NN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
EGLN1 Q9GZT9 1/20 0.36
BTK Q06187 5/20 0.36
ALDH1A1 P00352 2/20 0.35
ESR1 P03372 1/20 0.35
F10 P00742 1/20 0.34
GAA P10253 3/20 0.33
LMNA P02545 3/20 0.33
SLC6A4 P31645 3/20 0.33
HTT P42858 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL16792572 0.98 TRPA1 (0.40) TRPA1EGLN1BTKALDH1A1ESR1
SCHEMBL18331726 0.94 TRPA1 (0.39) TRPA1EGLN1BTKALDH1A1ESR1
SCHEMBL20084315 0.88 TRPA1 (0.36) TRPA1EGLN1BTKSLC6A4HIF1A
SCHEMBL18331710 0.88 ALDH1A1 (0.46) ALDH1A1ESR1GAALMNASLC6A4
SCHEMBL18332219 0.86 TRPA1 (0.40) TRPA1EGLN1SLC6A4SLC6A2SLC6A3
SCHEMBL18181799 0.85 TRPA1 (0.42) TRPA1EGLN1BTKALDH1A1ESR1
SCHEMBL16792647 0.83 ALDH1A1 (0.42) TRPA1EGLN1BTKALDH1A1F10
SCHEMBL16792375 0.82 TRPA1 (0.39) TRPA1EGLN1BTKALDH1A1F10
SCHEMBL18330582 0.82 ALDH1A1 (0.44) ALDH1A1ESR1GAALMNASLC6A4
SCHEMBL18332220 0.82 EGLN1 (0.39) TRPA1EGLN1SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080099-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2018-04-11 EP disclosed
US-9556150-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-01-31 US disclosed
US-9556150-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-01-31 US disclosed
US-20160311801-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHUGAI PHARMACEUTICAL CO. (JP) 2016-10-27 US disclosed
US-20160311801-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHUGAI PHARMACEUTICAL CO. (JP) 2016-10-27 US disclosed
WO-2015086642-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2015-06-18 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-20160311801-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN TRPA1 2395/4885EGLN1 4247/4885BTK 1/4885

“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.