SCHEMBL410264

SCHEMBL410264

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCCNC1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 0.89
LCK P06239 14/20 0.89
TEK Q02763 13/20 0.80
KDR P35968 8/20 0.80
EGFR P00533 7/20 0.80
FYN P06241 2/20 0.80
LYN P07948 2/20 0.80
CSK P41240 2/20 0.80
BTK Q06187 2/20 0.80
KDM4E B2RXH2 1/20 0.80
MEN1 O00255 1/20 0.80
RGS12 O14924 1/20 0.80
NPC1 O15118 1/20 0.80
GMNN O75496 1/20 0.80
ALDH1A1 P00352 1/20 0.80
LMNA P02545 1/20 0.80
TP53 P04637 1/20 0.80
CYP1A2 P05177 1/20 0.80
CYP3A4 P08684 1/20 0.80
CYP2D6 P10635 1/20 0.80

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
SCHEMBL13858219 1.00 SRC (0.89) SRCLCKTEKKDREGFR
SCHEMBL6865210 0.94 SRC (1.00) SRCLCKTEKKDREGFR
SCHEMBL14617844 0.94 SRC (1.00) SRCLCKTEKKDREGFR
Hydrochloric Acid SCHEMBL6462081 0.93 SRC (0.98) SRCLCKTEKKDREGFR
Tert-Butyl Formate SCHEMBL28022481 0.91 SRC (0.77) SRCLCKTEKKDREGFR
Hydrochloric Acid SCHEMBL7023167 0.90 SRC (0.85) SRCLCKTEKKDREGFR
SCHEMBL24458610 0.89 SRC (0.96) SRCLCKTEKKDREGFR
SCHEMBL29920993 0.89 SRC (1.00) SRCLCKTEKKDREGFR
SCHEMBL378454 0.89 SRC (1.00) SRCLCKTEKKDREGFR
SCHEMBL6465227 0.88 SRC (1.00) SRCLCKTEKKDREGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213106-A1 Inhibitors of Bruton's Tyrosine Kinase PHARMACYCLICS LLC (US) 2022-07-07 US disclosed
US-20200289515-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS, INC. 2020-09-17 US disclosed
US-20200276199-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2020-09-03 US disclosed
US-20200055859-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2020-02-20 US disclosed
US-10548897-B2 KSR antagonists ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-02-04 US disclosed
US-10435409-B2 Process for the preparation of ibrutinib SHILPA MEDICARE LIMITED 2019-10-08 US disclosed
US-20190040069-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB SHILPA MEDICARE LIMITED (IN) 2019-02-07 US disclosed
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2018-07-12 US disclosed
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2018-07-12 US disclosed
EP-3311818-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS Pharmacyclics, LLC (US) 2018-04-25 EP 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-20100331350-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-12-30 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-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-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 (12 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-20220213106-A1 Inhibitors of Bruton's Tyrosine Kinase ABL1, BTK, ABL2 SRC 17/4885LCK 23/4885TEK 1902/4885
US-10548897-B2 KSR antagonists KSR1, KSR2, KRAS SRC 133/4885LCK 728/4885TEK 891/4885
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN SRC 6/4885LCK 8/4885TEK 1988/4885
US-20190040069-A1 PROCESS FOR THE PREPARATION OF IBRUTINIB BTK, SYK, JAK1 SRC 90/4885LCK 45/4885TEK 178/4885
US-20200289515-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN SRC 6/4885LCK 8/4885TEK 1988/4885
US-20100331350-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN SRC 7/4885LCK 2/4885TEK 3185/4885
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 SRC 17/4885LCK 23/4885TEK 1902/4885
US-20110008257-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN SRC 7/4885LCK 2/4885TEK 3185/4885
US-20200055859-A1 INHIBITORS OF BRUTONS TYROSINE KINASE ABL1, BTK, ABL2 SRC 12/4885LCK 26/4885TEK 1262/4885
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 SRC 20/4885LCK 2/4885TEK 2394/4885
US-20200276199-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN SRC 6/4885LCK 8/4885TEK 1988/4885
US-10435409-B2 Process for the preparation of ibrutinib BTK, SYK, JAK1 SRC 102/4885LCK 58/4885TEK 184/4885

“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.