SCHEMBL410120

SCHEMBL410120

OBOc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.57
TSHR P16473 1/20 0.57
NR1H2 P55055 1/20 0.56
BAX Q07812 1/20 0.56
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
MAOA P21397 1/20 0.50
PARP10 Q53GL7 1/20 0.47
SRD5A2 P31213 1/20 0.45
FFAR1 O14842 1/20 0.42
IDH1 O75874 1/20 0.42
GSTP1 P09211 1/20 0.42
SOS1 Q07889 1/20 0.42
CA9 Q16790 1/20 0.42
PLA2G2A P14555 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL103797 0.90
SCHEMBL28032088 0.87 LTA4H (0.43) LTA4HTSHRNR1H2BAXCA1
SCHEMBL7129361 0.87 LTA4H (0.43) LTA4HTSHRNR1H2BAXCA1
Diphenylether SCHEMBL725398 0.82 LTA4H (0.75) LTA4HTSHRNR1H2BAXCA1
SCHEMBL14477632 0.82 MEN1 (0.33) CA1CA2CA9
SCHEMBL25661898 0.81 MMP3 (0.44) CA1CA2CA9SMN1; SMN2
SCHEMBL819908 0.81 MMP3 (0.44) CA1CA2CA9SMN1; SMN2
SCHEMBL25661900 0.81 MMP3 (0.44) CA1CA2CA9SMN1; SMN2
SCHEMBL25661896 0.81 MMP3 (0.44) CA1CA2CA9SMN1; SMN2
SCHEMBL449851 0.80 LTA4H (0.63) LTA4HTSHRNR1H2BAXCA1

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 60 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-20180037583-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS LLC (US) 2018-02-08 US disclosed
US-20170362246-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2017-12-21 US disclosed
US-9840509-B2 Heterocyclic compounds CADILA HEALTHCARE LIMITED (IN) 2017-12-12 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-9637487-B2 Purinone compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-05-02 US disclosed
US-9598425-B2 Method for preparing Ibrutinib SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2017-03-21 US disclosed
US-9540385-B2 Pyrrolopyrimidine compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-01-10 US disclosed
US-20160375026-A1 PYRROLOPYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. 2016-12-29 US disclosed
US-20120184013-A1 Inhibitors of BMX non-receptor tyrosine kinase PHARMACYCLICS, INC. (US) 2012-07-19 US disclosed
US-20120184567-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-07-19 US disclosed
US-20120178753-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-07-12 US disclosed
US-20120165328-A1 INHIBITORS OF B LYMPHOCYTE KINASE PHARMACYCLICS, INC. (US) 2012-06-28 US disclosed
US-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2012-05-24 US disclosed
US-20120101113-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-04-26 US disclosed
US-20120101114-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-04-26 US disclosed
US-20120065201-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-03-15 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-20110008257-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-01-13 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 (14 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 LTA4H 4435/4885TSHR 3200/4885NR1H2 4636/4885
US-20180037583-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, BCL9 LTA4H 1886/4885TSHR 3511/4885NR1H2 3981/4885
US-20120178753-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 LTA4H 4435/4885TSHR 3200/4885NR1H2 4636/4885
US-20120165328-A1 INHIBITORS OF B LYMPHOCYTE KINASE BLK, DCK, LTK LTA4H 2845/4885TSHR 2700/4885NR1H2 3581/4885
US-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BTK, ABL1, JAK1 LTA4H 2817/4885TSHR 1560/4885NR1H2 3820/4885
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN LTA4H 3308/4885TSHR 2102/4885NR1H2 4540/4885
US-20160375026-A1 PYRROLOPYRIMIDINE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, ZAP70 LTA4H 2715/4885TSHR 2964/4885NR1H2 4428/4885
US-20120101114-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 LTA4H 4435/4885TSHR 3200/4885NR1H2 4636/4885
US-20110008257-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN LTA4H 1313/4885TSHR 3088/4885NR1H2 3701/4885
US-20120184567-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 LTA4H 4435/4885TSHR 3200/4885NR1H2 4636/4885
US-20120101113-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 LTA4H 4435/4885TSHR 3200/4885NR1H2 4636/4885
US-20110224235-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN LTA4H 3308/4885TSHR 2102/4885NR1H2 4540/4885
US-20120065201-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 LTA4H 4435/4885TSHR 3200/4885NR1H2 4636/4885
US-20170246169-A1 Inhibitors of Bruton's Tyrosine Kinase for the Treatment of Solid Tumors BTK, ABL1, LYN LTA4H 3308/4885TSHR 2102/4885NR1H2 4540/4885

“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.