SCHEMBL459311

SCHEMBL459311

CC(C)c1cn(C)c2c(N)ncnc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.41
ADORA2A P29274 15/20 0.40
ADORA1 P30542 12/20 0.40
ADORA2B P29275 8/20 0.37
PI4KA P42356 2/20 0.37
PI4K2B Q8TCG2 2/20 0.37
PI4K2A Q9BTU6 2/20 0.37
PI4KB Q9UBF8 2/20 0.37
CSF1R P07333 1/20 0.34
ADORA3 P0DMS8 3/20 0.34

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
SCHEMBL409234 0.81 ADORA2A (0.50) LIMK1ADORA2AADORA1ADORA2BPI4KA
SCHEMBL19733383 0.79 ADORA2A (0.47) LIMK1ADORA2AADORA1ADORA2BPI4KA
SCHEMBL3490619 0.77 LIMK1 (0.44) LIMK1ADORA2AADORA1ADORA2BPI4KA
SCHEMBL22432874 0.76 ADORA2A (0.51) LIMK1ADORA2AADORA1ADORA2BPI4KA
SCHEMBL6925128 0.72 ADORA2A (0.43) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL19376297 0.72 LIMK1 (0.41) LIMK1ADORA2AADORA1ADORA2BPI4KA
SCHEMBL30582556 0.72 ADORA2A (0.43) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL12621162 0.70 LIMK1 (0.39) LIMK1ADORA2AADORA1ADORA2BPI4KA
SCHEMBL8820773 0.70 PIK3CD (0.41) LIMK1PI4KAPI4K2BPI4K2API4KB
SCHEMBL24499994 0.69 LIMK1 (0.41) LIMK1ADORA2AADORA1ADORA2BPI4KA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210015915-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-01-21 US disclosed
US-20130035334-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-02-07 US disclosed
US-20130018060-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 US disclosed
US-20130012525-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYLICS, INC. (US) 2013-01-10 US disclosed
US-20120329130-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-12-27 US disclosed
US-8236812-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2012-08-07 US disclosed
US-20120184013-A1 Inhibitors of BMX non-receptor tyrosine kinase PHARMACYCLICS, INC. (US) 2012-07-19 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-20110008257-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-01-13 US disclosed
US-20100324050-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. A DELAWARE CORPORATION (US) 2010-12-23 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-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 (9 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-20130012525-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN LIMK1 618/4885ADORA2A 4718/4885ADORA1 4858/4885
US-20130035334-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 LIMK1 919/4885ADORA2A 4471/4885ADORA1 4765/4885
US-20210015915-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING STING1, CGAS, TBK1 LIMK1 2238/4885ADORA2A 696/4885ADORA1 780/4885
US-20100324050-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN LIMK1 546/4885ADORA2A 3542/4885ADORA1 4537/4885
US-20120101114-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 LIMK1 919/4885ADORA2A 4471/4885ADORA1 4765/4885
US-20130018060-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 LIMK1 919/4885ADORA2A 4471/4885ADORA1 4765/4885
US-20110008257-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN LIMK1 546/4885ADORA2A 3542/4885ADORA1 4537/4885
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 LIMK1 517/4885ADORA2A 1298/4885ADORA1 2328/4885
US-20120065201-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 LIMK1 919/4885ADORA2A 4471/4885ADORA1 4765/4885

“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.