SCHEMBL410098

SCHEMBL410098

CC(C)c1nc(C(C)C)n2ccnc(N)c12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 10/20 0.52
ABL1 P00519 2/20 0.51
SRC P12931 2/20 0.51
RET P07949 3/20 0.42
KDR P35968 3/20 0.42
TLR7 Q9NYK1 2/20 0.37
ERN1 O75460 1/20 0.36
BTK Q06187 1/20 0.35
NUDT1 P36639 1/20 0.32

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
SCHEMBL13968295 0.84 TNK2 (0.40) TNK2ABL1SRCRETKDR
SCHEMBL2618928 0.83 TNK2 (0.52) TNK2ABL1SRCRETKDR
SCHEMBL13077693 0.83 BTK (0.46) TNK2ABL1SRCRETKDR
SCHEMBL12437111 0.82 TNK2 (0.51) TNK2ABL1SRCRETKDR
SCHEMBL18099733 0.82 ABL1 (0.53) TNK2ABL1SRCRETKDR
SCHEMBL19733424 0.80 TNK2 (0.49) TNK2ABL1SRCRETKDR
SCHEMBL13977159 0.75 TNK2 (0.39) TNK2ABL1SRCRETKDR
SCHEMBL16748839 0.74 TNK2 (0.69) TNK2ABL1SRCRETKDR
SCHEMBL29390333 0.72 SRC (0.75) TNK2ABL1SRCRETKDR
SCHEMBL30493814 0.72 TNK2 (0.60) TNK2ABL1SRCRETKDR

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 51 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-20220144843-A1 AMINONORBORNANE DERIVATIVE AND MANUFACTURE METHOD THEREFOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2022-05-12 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-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-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-9556182-B2 Inhibitors of Bruton's tyrosine kinase Pharmacylics LLC (US) 2017-01-31 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-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 (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-20170362246-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 TNK2 25/4885ABL1 1/4885SRC 17/4885
US-20220213106-A1 Inhibitors of Bruton's Tyrosine Kinase ABL1, BTK, ABL2 TNK2 25/4885ABL1 1/4885SRC 17/4885
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN TNK2 112/4885ABL1 2/4885SRC 6/4885
US-20100324050-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN TNK2 101/4885ABL1 5/4885SRC 7/4885
US-20200289515-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN TNK2 112/4885ABL1 2/4885SRC 6/4885
US-20100331350-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN TNK2 101/4885ABL1 5/4885SRC 7/4885
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 TNK2 25/4885ABL1 1/4885SRC 17/4885
US-20110008257-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN TNK2 101/4885ABL1 5/4885SRC 7/4885
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 TNK2 276/4885ABL1 17/4885SRC 20/4885
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 TNK2 276/4885ABL1 15/4885SRC 20/4885
US-20220144843-A1 AMINONORBORNANE DERIVATIVE AND MANUFACTURE METHOD THEREFOR AND USE THEREOF BTK, LCK, SYK TNK2 296/4885ABL1 77/4885SRC 9/4885
US-20170246169-A1 Inhibitors of Bruton's Tyrosine Kinase for the Treatment of Solid Tumors BTK, ABL1, LYN TNK2 112/4885ABL1 2/4885SRC 6/4885

“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.