SCHEMBL3490619

SCHEMBL3490619

Cc1cn(C)c2c(N)ncnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 4/20 0.44
ADORA2A P29274 8/20 0.43
ADORA1 P30542 6/20 0.43
PI4KA P42356 5/20 0.36
PI4K2B Q8TCG2 5/20 0.36
PI4K2A Q9BTU6 5/20 0.36
PI4KB Q9UBF8 5/20 0.36
ADORA2B P29275 3/20 0.36
ADORA3 P0DMS8 1/20 0.35
CDC7 O00311 5/20 0.34
DBF4 Q9UBU7 5/20 0.34
PLK4 O00444 1/20 0.34
IKBKB O14920 1/20 0.34
AURKA O14965 1/20 0.34
CHUK O15111 1/20 0.34
ROCK2 O75116 1/20 0.34
FYN P06241 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34
RPS6KB1 P23443 1/20 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
SCHEMBL28474962 0.79 LIMK1 (0.39) LIMK1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL13077902 0.77 ADORA2A (0.51) LIMK1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL19376297 0.77 LIMK1 (0.41) LIMK1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL459311 0.77 LIMK1 (0.41) LIMK1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL12621162 0.74 LIMK1 (0.39) LIMK1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL23917272 0.71 LIMK1 (0.47) LIMK1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL463027 0.69 ADK (0.48) LIMK1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL13593762 0.69 LIMK1 (0.44) LIMK1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL8336964 0.68 NOS2 (0.44) LIMK1ADORA2AADORA1ADORA2B
SCHEMBL26976 0.64 ADORA2A (0.61) LIMK1ADORA2AADORA1PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4242212-A2 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING Takeda Pharmaceutical Company Limited (JP) 2023-09-13 EP disclosed
WO-2019180683-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-26 WO 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-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
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
EP-2560007-A1 Identification of bruton's tyrosine kinase inhibitors Pharmacyclics, Inc. (US) 2013-02-20 EP disclosed
EP-2548558-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC AS INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics, Inc. (US) 2013-01-23 EP disclosed
EP-2543375-A1 Pyrrolo-pyrimidine analogues as inhibitors of bruton's tyrosine kinase Pharmacyclics, Inc. (US) 2013-01-09 EP disclosed
US-20120296089-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-11-22 US disclosed
US-20120277225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-11-01 US disclosed
US-20120202264-A1 INHIBITORS OF IL2-INDUCIBLE T-CELL KINASE PHARMACYCLICS, INC. (US) 2012-08-09 US disclosed
US-20120101113-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-04-26 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 LIMK1 919/4885ADORA2A 4471/4885ADORA1 4765/4885
US-20120296089-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 LIMK1 919/4885ADORA2A 4471/4885ADORA1 4765/4885
US-20180193345-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN LIMK1 618/4885ADORA2A 4718/4885ADORA1 4858/4885
US-20120277225-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 LIMK1 919/4885ADORA2A 4471/4885ADORA1 4765/4885
US-20120101113-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 LIMK1 919/4885ADORA2A 4471/4885ADORA1 4765/4885
US-20110224235-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN LIMK1 618/4885ADORA2A 4718/4885ADORA1 4858/4885
US-20170246169-A1 Inhibitors of Bruton's Tyrosine Kinase for the Treatment of Solid Tumors BTK, ABL1, LYN LIMK1 618/4885ADORA2A 4718/4885ADORA1 4858/4885

“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.