SCHEMBL1439999

SCHEMBL1439999

C=CC[C@@H](Nc1cc(F)cc(Cl)c1)C(=O)N(CC=C)C1CCCC(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.39
SLC6A9 P48067 9/20 0.36
SLC6A5 Q9Y345 4/20 0.35
F2 P00734 1/20 0.34
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
BTK Q06187 1/20 0.32
PYGL P06737 1/20 0.32
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1440003 1.00 GRM4 (0.39) GRM4SLC6A9SLC6A5F2UBE2M
SCHEMBL28440579 1.00 GRM4 (0.39) GRM4SLC6A9SLC6A5F2UBE2M
SCHEMBL28440578 1.00 GRM4 (0.39) GRM4SLC6A9SLC6A5F2UBE2M
SCHEMBL29195594 0.88 F2 (0.33) GRM4SLC6A9SLC6A5F2UBE2M
SCHEMBL30242027 0.88 F2 (0.33) GRM4SLC6A9SLC6A5F2UBE2M
SCHEMBL1439865 0.83 BTK (0.37) GRM4SLC6A9SLC6A5F2UBE2M
SCHEMBL20566871 0.83 BTK (0.37) GRM4SLC6A9SLC6A5F2UBE2M
SCHEMBL22818580 0.77 BTK (0.35) SLC6A9SLC6A5F2UBE2MDCUN1D1
SCHEMBL1439320 0.73 GRM4 (0.39) GRM4
SCHEMBL1439322 0.73 GRM4 (0.39) GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230046457-A1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC. 2023-02-16 US disclosed
US-20200399283-A1 BRUTON'S TYROSINE KINASE INHIBITORS VIRACTA THERAPEUTICS, INC. 2020-12-24 US disclosed
US-10577374-B2 Bruton's tyrosine kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2020-03-03 US disclosed
EP-3461824-A1 BRUTON'S TYROSINE KINASE INHIBITORS Biogen MA Inc. (US) 2019-04-03 EP disclosed
EP-2473049-B1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC (US) 2018-11-28 EP disclosed
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-03-08 US disclosed
US-9790229-B2 Bruton's tyrosine kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-10-17 US disclosed
US-20160376281-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-12-29 US disclosed
US-9249146-B2 Bruton'S tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-02-02 US disclosed
US-20140309212-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2014-10-16 US disclosed
US-8785440-B2 Bruton's tyrosine kinase inhibitors BIOGEN IDEC MA, INC. (US) 2014-07-22 US disclosed
EP-2473049-A1 BRUTON'S TYROSINE KINASE INHIBITORS Biogen Idec MA Inc. (US) 2012-07-11 EP disclosed
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 US disclosed
WO-2011029046-A1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2011-03-10 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 (7 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-20230046457-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK GRM4 4609/4885SLC6A9 4702/4885SLC6A5 4753/4885
US-20160376281-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK GRM4 4609/4885SLC6A9 4702/4885SLC6A5 4753/4885
US-20140309212-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK GRM4 4609/4885SLC6A9 4702/4885SLC6A5 4753/4885
US-20200399283-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK GRM4 4609/4885SLC6A9 4702/4885SLC6A5 4753/4885
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK GRM4 4609/4885SLC6A9 4702/4885SLC6A5 4753/4885
US-10577374-B2 Bruton's tyrosine kinase inhibitors BTK, ABL1, SYK GRM4 4609/4885SLC6A9 4702/4885SLC6A5 4753/4885
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK GRM4 4609/4885SLC6A9 4702/4885SLC6A5 4753/4885

“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.