SCHEMBL164310

SCHEMBL164310

COC(=O)c1sc(C(C)(C)C)nc1CBr

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.38
KMT2A Q03164 3/20 0.37
TSHR P16473 3/20 0.37
MAPT P10636 3/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL2887319 0.85 ALDH1A1 (0.50) KMT2ATSHRMAPTHSD17B10MEN1
SCHEMBL5520641 0.83 KMT2A (0.38) RAF1KMT2ATSHRMAPTHSD17B10
SCHEMBL25205989 0.82 MEN1 (0.35) KMT2ATSHRMEN1SMN1; SMN2CYP1A2
SCHEMBL160229 0.77 CNR1 (0.50) RAF1KMT2ATSHRMAPTHSD17B10
SCHEMBL5525822 0.75 ALDH1A1 (0.52) KMT2AMAPTHSD17B10MEN1SMN1; SMN2
SCHEMBL5520453 0.72 ALDH1A1 (0.49) KMT2AMAPTHSD17B10MEN1SMN1; SMN2
SCHEMBL5520451 0.71 ALDH1A1 (0.40) KMT2AALDH1A1HTTKDM4EL3MBTL1
SCHEMBL5527718 0.70 SMN1; SMN2 (0.36) RAF1KMT2ATSHRMEN1SMN1; SMN2
SCHEMBL5519955 0.70 ALDH1A1 (0.41) KMT2ATSHRMAPTCYP1A2ALDH1A1
SCHEMBL5525465 0.70 HCAR2 (0.35) RAF1KMT2ATSHRMAPTHSD17B10

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2023-02-07 US disclosed
US-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2022-10-20 US disclosed
US-10759783-B2 Biaryl inhibitors of Bruton'S tyrosine kinase BIOGEN MA INC. (US) 2020-09-01 US disclosed
US-20190218204-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2019-07-18 US disclosed
US-10081619-B2 Biaryl inhibitors of bruton's tyrosine kinase BIOGEN MA INC. (US) 2018-09-25 US disclosed
EP-3080103-B9 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-09-19 EP disclosed
EP-3357921-A2 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Sunesis Pharmaceuticals, Inc. (US) 2018-08-08 EP disclosed
EP-3357921-A2 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Sunesis Pharmaceuticals, Inc. (US) 2018-08-08 EP disclosed
EP-3080103-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-04-18 EP disclosed
EP-3080103-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-04-18 EP disclosed
WO-2015089337-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN IDEC MA INC. (US) 2015-06-18 WO disclosed
WO-2015089337-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN IDEC MA INC. (US) 2015-06-18 WO disclosed
EP-2611798-B1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-04-08 EP disclosed
US-8975260-B2 Pyridazinones, method of making, and method of use thereof GENETECH, INC (US) 2015-03-10 US disclosed
US-8975260-B2 Pyridazinones, method of making, and method of use thereof GENETECH, INC (US) 2015-03-10 US disclosed
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-24 US disclosed
US-20130261103-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-03 US disclosed
US-20130261103-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-03 US disclosed
EP-2611790-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut, Inc. (US) 2013-07-10 EP disclosed
WO-2012031004-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. (US) 2012-03-08 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-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase ABL1, BTK, LYN RAF1 137/4885KMT2A 1470/4885TSHR 3852/4885
US-20130261103-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, TYK2, LCK RAF1 373/4885KMT2A 3117/4885TSHR 2218/4885
US-10759783-B2 Biaryl inhibitors of Bruton'S tyrosine kinase ABL1, BTK, LYN RAF1 137/4885KMT2A 1470/4885TSHR 3852/4885
US-10081619-B2 Biaryl inhibitors of bruton's tyrosine kinase ABL1, BTK, LYN RAF1 137/4885KMT2A 1470/4885TSHR 3852/4885
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, PDXK, TYK2 RAF1 263/4885KMT2A 3969/4885TSHR 1852/4885
US-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN RAF1 137/4885KMT2A 1470/4885TSHR 3852/4885
US-20190218204-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN RAF1 137/4885KMT2A 1470/4885TSHR 3852/4885

“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.