SCHEMBL410259

SCHEMBL410259

[C-]#[N+]/C(C#N)=C(/CBr)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.37
SRD5A2 P31213 5/20 0.37
MMP1 P03956 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
LTA4H P09960 3/20 0.36
NR1H2 P55055 1/20 0.35
BAX Q07812 1/20 0.35
TSHR P16473 1/20 0.33
AKR1C3 P42330 1/20 0.33
ERBB2 P04626 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
SCHEMBL454784 0.81 PARP10 (0.42) PARP10SRD5A2MMP1SMN1; SMN2ERCC5
SCHEMBL15588847 0.69 PARP10 (0.46) PARP10SRD5A2SMN1; SMN2ERCC5FEN1
SCHEMBL13977407 0.69 PARP10 (0.42) PARP10SRD5A2MMP1SMN1; SMN2ERCC5
SCHEMBL10922060 0.69 PARP10 (0.58) PARP10SRD5A2SMN1; SMN2ERCC5FEN1
SCHEMBL1163251 0.65 PARP10 (0.48) PARP10SRD5A2SMN1; SMN2ERCC5FEN1
SCHEMBL202753 0.65 PARP10 (0.53) PARP10SRD5A2SMN1; SMN2ERCC5FEN1
SCHEMBL1350830 0.65 GSK3B (0.67) PARP10SRD5A2MMP1SMN1; SMN2ERCC5
SCHEMBL11947263 0.65 MAOB (0.54) PARP10SRD5A2SMN1; SMN2
SCHEMBL812927 0.65 CYP19A1 (0.37) TSHR
SCHEMBL4415163 0.65 ALDH1A1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2018-07-12 US disclosed
US-20170362246-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2017-12-21 US disclosed
US-9795605-B2 Inhibitors of Bruton's tyrosine kinase for the treatment of solid tumors PHARMACYCLICS LLC (US) 2017-10-24 US disclosed
US-20170246169-A1 Inhibitors of Bruton's Tyrosine Kinase for the Treatment of Solid Tumors PHARMACYCLICS, INC. 2017-08-31 US disclosed
US-9556182-B2 Inhibitors of Bruton's tyrosine kinase Pharmacylics LLC (US) 2017-01-31 US disclosed
US-9278100-B2 Inhibitors of bruton's tyrosine kinase for the treatment of solid tumors PHARMACYCLICS LLC (US) 2016-03-08 US disclosed
US-20160008366-A1 BTK INHIBITORS FOR THE TREATMENT OF CNS MALIGNANCIES PHARMACYCLICS LLC 2016-01-14 US disclosed
US-20160000792-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2016-01-07 US disclosed
US-9181263-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-11-10 US disclosed
US-20150306106-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2015-10-29 US disclosed
US-20110224235-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS, INC. (US) 2011-09-15 US disclosed
US-7960396-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2011-06-14 US disclosed
US-20110008257-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-01-13 US disclosed
US-20100331350-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-12-30 US disclosed
US-20100324050-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. A DELAWARE CORPORATION (US) 2010-12-23 US disclosed
US-7825118-B2 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2010-11-02 US disclosed
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2010-10-07 US disclosed
US-7732454-B2 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcingogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2010-06-08 US disclosed
US-20080139582-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2008-06-12 US disclosed
US-20080076921-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcingogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2008-03-27 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 (13 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-20170362246-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 PARP10 591/4885SRD5A2 4462/4885MMP1 3149/4885
US-20160008366-A1 BTK INHIBITORS FOR THE TREATMENT OF CNS MALIGNANCIES BTK, SYK, ABL1 PARP10 1403/4885SRD5A2 4851/4885MMP1 4509/4885
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN PARP10 669/4885SRD5A2 4145/4885MMP1 3814/4885
US-20150306106-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 PARP10 591/4885SRD5A2 4462/4885MMP1 3149/4885
US-20100324050-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN PARP10 655/4885SRD5A2 4082/4885MMP1 3867/4885
US-20100331350-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN PARP10 655/4885SRD5A2 4082/4885MMP1 3867/4885
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 PARP10 591/4885SRD5A2 4462/4885MMP1 3149/4885
US-20110008257-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN PARP10 655/4885SRD5A2 4082/4885MMP1 3867/4885
US-20160000792-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN PARP10 669/4885SRD5A2 4145/4885MMP1 3814/4885
US-20080139582-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents BTK, LCK, LYN PARP10 652/4885SRD5A2 3688/4885MMP1 3850/4885
US-20080076921-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcingogenic and antiinflammatory agents BTK, LCK, LYN PARP10 707/4885SRD5A2 3604/4885MMP1 3760/4885
US-20110224235-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN PARP10 669/4885SRD5A2 4145/4885MMP1 3814/4885
US-20170246169-A1 Inhibitors of Bruton's Tyrosine Kinase for the Treatment of Solid Tumors BTK, ABL1, LYN PARP10 669/4885SRD5A2 4145/4885MMP1 3814/4885

“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.