SCHEMBL613581

SCHEMBL613581

CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(OCCN(CC)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)OCCN(CC)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.91
AURKB Q96GD4 13/20 0.91
EGFR P00533 4/20 0.91
KDR P35968 4/20 0.91
RIPK2 O43353 2/20 0.91
LCK P06239 2/20 0.91
LYN P07948 2/20 0.91
RET P07949 2/20 0.91
HCK P08631 2/20 0.91
PDGFRB P09619 2/20 0.91
KIT P10721 2/20 0.91
PDGFRA P16234 2/20 0.91
CSNK2A2 P19784 2/20 0.91
FLT3 P36888 2/20 0.91
MST1R Q04912 2/20 0.91
MAP2K5 Q13163 2/20 0.91
AURKC Q9UQB9 2/20 0.91
MAP4K5 Q9Y4K4 2/20 0.91
FYN P06241 1/20 0.91
RAB6A P20340 1/20 0.91

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
SCHEMBL3489570 0.96 AURKA (0.85) AURKAAURKBEGFRKDRRIPK2
Barasertib SCHEMBL29720420 0.95 AURKA (1.00) AURKAAURKBEGFRKDRRIPK2
Barasertib SCHEMBL29368256 0.95 AURKA (1.00) AURKAAURKBEGFRKDRRIPK2
SCHEMBL12132714 0.95 AURKA (0.90) AURKAAURKBEGFRKDRRIPK2
Barasertib SCHEMBL613582 0.95 AURKA (1.00) AURKAAURKBEGFRKDRRIPK2
SCHEMBL1345874 0.95 AURKA (0.85) AURKAAURKBEGFRKDRRIPK2
SCHEMBL12132713 0.95 AURKA (0.92) AURKAAURKBEGFRKDRRIPK2
SCHEMBL3862878 0.94 AURKA (0.90) AURKAAURKBEGFRKDRRIPK2
SCHEMBL3858181 0.94 AURKA (0.89) AURKAAURKBEGFRKDRRIPK2
SCHEMBL3490131 0.94 AURKA (0.96) AURKAAURKBEGFRKDRRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3782986-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-07-10 EP disclosed
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-27 US disclosed
EP-3533797-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-12-20 EP disclosed
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
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 US disclosed
US-20230117295-A1 NITROGEN CONTAINING HETEROCYCLES AS CDK12 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-04-20 US disclosed
US-11584737-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-21 US disclosed
US-11542293-B2 Sting modulator compounds, and methods of making and using TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-03 US disclosed
EP-3514149-B1 HETEROCYCLIC AMIDE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-05-18 EP disclosed
EP-3707151-B1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICALS CO (JP) 2022-01-05 EP disclosed
US-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 US disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 US disclosed
EP-2471793-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 EP disclosed
EP-2471790-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 EP disclosed
EP-2471791-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 EP disclosed
EP-2471789-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 EP disclosed
US-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 US disclosed
US-20110034469-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 US disclosed
EP-2026808-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2009-02-25 EP disclosed
WO-2007132215-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-11-22 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 (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-20110034469-A1 Heterocyclic Compound BIRC5, XIAP, BIRC2 AURKA 2477/4885AURKB 1323/4885EGFR 4854/4885
US-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS CDC7, CDK7, DTYMK AURKA 35/4885AURKB 53/4885EGFR 3562/4885
US-11542293-B2 Sting modulator compounds, and methods of making and using STING1, CGAS, MAVS AURKA 3071/4885AURKB 1699/4885EGFR 1818/4885
US-20230117295-A1 NITROGEN CONTAINING HETEROCYCLES AS CDK12 INHIBITORS CDK1, CDK12, CDK15 AURKA 62/4885AURKB 59/4885EGFR 1992/4885
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS AURKA 3071/4885AURKB 1699/4885EGFR 1818/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS AURKA 3224/4885AURKB 2554/4885EGFR 865/4885
US-11584737-B2 Heterocyclic compound CDK12, CDK1, CDK15 AURKA 65/4885AURKB 60/4885EGFR 2135/4885
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH AURKA 959/4885AURKB 939/4885EGFR 1207/4885
US-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH AURKA 959/4885AURKB 939/4885EGFR 1207/4885

“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.