SCHEMBL454784

SCHEMBL454784

N#CC(C#N)=C(CBr)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.42
SRD5A2 P31213 5/20 0.41
LTA4H P09960 3/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NR1H2 P55055 1/20 0.40
BAX Q07812 1/20 0.40
TSHR P16473 1/20 0.39
MMP1 P03956 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38
RAB9A P51151 1/20 0.38
AKR1C3 P42330 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL4415163 0.84 ALDH1A1 (0.44) ALDH1A1POLBRAB9ALMNA
SCHEMBL13977407 0.84 PARP10 (0.42) PARP10SRD5A2LTA4HERCC5FEN1
SCHEMBL15588847 0.81 PARP10 (0.46) PARP10SRD5A2LTA4HERCC5FEN1
SCHEMBL410259 0.81 PARP10 (0.37) PARP10SRD5A2LTA4HERCC5FEN1
SCHEMBL202753 0.78 PARP10 (0.53) PARP10SRD5A2LTA4HERCC5FEN1
SCHEMBL4480029 0.75 PARP10 (0.55) PARP10SRD5A2LTA4HERCC5FEN1
SCHEMBL200799 0.72 LTA4H (0.46) PARP10SRD5A2LTA4HERCC5FEN1
SCHEMBL18173604 0.72 LTA4H (0.46) PARP10SRD5A2LTA4HERCC5FEN1
SCHEMBL1163251 0.70 PARP10 (0.48) PARP10SRD5A2LTA4HERCC5FEN1
SCHEMBL10922060 0.70 PARP10 (0.58) PARP10SRD5A2LTA4HERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3311818-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS Pharmacyclics, LLC (US) 2018-04-25 EP disclosed
US-9926299-B2 Inhibitors of bruton's tyrosine kinase CENTAURUS BIOPHARMA CO., LTD. (CN) 2018-03-27 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
EP-2307025-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC (US) 2017-09-20 EP disclosed
US-20170246169-A1 Inhibitors of Bruton's Tyrosine Kinase for the Treatment of Solid Tumors PHARMACYCLICS, INC. 2017-08-31 US disclosed
WO-2017134588-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB SHILPA MEDICARE LIMITED (IN) 2017-08-10 WO 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
WO-2016010926-A1 BTK INHIBITORS FOR THE TREATMENT OF CNS MALIGNANCIES PHARMACYCLICS LLC (US) 2016-01-21 WO 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
WO-2010009342-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS, INC. (US) 2010-01-21 WO disclosed
WO-2008121742-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2008-10-09 WO 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 (8 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 4462/4885LTA4H 4435/4885
US-20100324050-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN PARP10 655/4885SRD5A2 4082/4885LTA4H 1313/4885
US-20100331350-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN PARP10 655/4885SRD5A2 4082/4885LTA4H 1313/4885
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 PARP10 591/4885SRD5A2 4462/4885LTA4H 4435/4885
US-20110008257-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN PARP10 655/4885SRD5A2 4082/4885LTA4H 1313/4885
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 3688/4885LTA4H 772/4885
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 3604/4885LTA4H 808/4885
US-20170246169-A1 Inhibitors of Bruton's Tyrosine Kinase for the Treatment of Solid Tumors BTK, ABL1, LYN PARP10 669/4885SRD5A2 4145/4885LTA4H 3308/4885

“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.