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 — —
SCHEMBL7129361 0.87 LTA4H (0.43) LTA4HTSHRNR1H2BAXCA1
SCHEMBL28032088 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
SCHEMBL25661896 0.81 MMP3 (0.44) CA1CA2CA9SMN1; SMN2
SCHEMBL25661900 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.

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