SCHEMBL4857531

SCHEMBL4857531

Brc1cn(Cc2ccccc2)c2cnccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.66
KCNH2 Q12809 1/20 0.66
KDM4C Q9H3R0 1/20 0.62
CDK2 P24941 1/20 0.55
DYRK1B Q9Y463 1/20 0.55
NFATC1 O95644 1/20 0.49
GSK3B P49841 1/20 0.49
CYP19A1 P11511 6/20 0.46
HTR2C P28335 1/20 0.45
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CHRM1 P11229 1/20 0.42
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP11B1 P15538 2/20 0.40

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
SCHEMBL29801631 1.00 DYRK1A (0.66) DYRK1AKCNH2KDM4CCDK2DYRK1B
SCHEMBL4849408 0.90 DYRK1A (0.53) DYRK1AKCNH2KDM4CCDK2DYRK1B
SCHEMBL20787974 0.88 KCNH2 (0.55) DYRK1AKCNH2KDM4CCDK2DYRK1B
SCHEMBL4859078 0.87 DYRK1A (0.51) DYRK1AKCNH2KDM4CCDK2DYRK1B
SCHEMBL4849658 0.85 DYRK1A (0.67) DYRK1AKCNH2KDM4CCDK2DYRK1B
SCHEMBL4855827 0.83 DYRK1A (0.47) DYRK1AKCNH2KDM4CCDK2DYRK1B
SCHEMBL4856398 0.82 CYP11B1 (0.53) DYRK1AKCNH2KDM4CNFATC1GSK3B
SCHEMBL4858071 0.81 DYRK1A (0.45) DYRK1AKCNH2KDM4CCDK2DYRK1B
SCHEMBL4847918 0.81 DYRK1A (0.52) DYRK1AKCNH2KDM4CCDK2DYRK1B
SCHEMBL4851322 0.81 LPO (0.47) DYRK1AKCNH2KDM4CCDK2DYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109535155-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维公司 2022-07-12 CN disclosed
US-20210346369-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2021-11-11 US disclosed
US-20200345717-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2020-11-05 US disclosed
EP-2768830-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2018-08-29 EP disclosed
US-20180221363-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2018-08-09 US disclosed
US-9266877-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2016-02-23 US disclosed
US-20150152097-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2015-06-04 US disclosed
US-8940737-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-01-27 US disclosed
US-20130096121-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2013-04-18 US disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 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 (6 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-20200345717-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BAX, BCL2, BCL3 DYRK1A 4597/4885KCNH2 4541/4885KDM4C 3796/4885
US-20210346369-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BAX, BCL2, BCL3 DYRK1A 4597/4885KCNH2 4541/4885KDM4C 3796/4885
US-20180221363-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BAX, BCL2, BCL3 DYRK1A 4597/4885KCNH2 4541/4885KDM4C 3796/4885
US-20130096121-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2A1, BCL2L1, BCL2L11 DYRK1A 4491/4885KCNH2 4693/4885KDM4C 3845/4885
US-20150152097-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BAX, BCL2, BCL3 DYRK1A 4597/4885KCNH2 4541/4885KDM4C 3796/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 DYRK1A 1117/4885KCNH2 2535/4885KDM4C 1604/4885

“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.