SCHEMBL14857486

SCHEMBL14857486

COC(CC(c1ccccc1)n1cccn1)OC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
BRD4 O60885 1/20 0.36
CYP17A1 P05093 3/20 0.33
CYP19A1 P11511 7/20 0.33
KMT2A Q03164 1/20 0.31
CHRM2 P08172 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL28562010 0.79 TSHR (0.47) TSHRBRD4CYP17A1CYP19A1
SCHEMBL14857830 0.79 TSHR (0.39) TSHRBRD4CYP17A1CYP19A1HRH1
Hydrochloric Acid SCHEMBL28561898 0.78 TSHR (0.46) TSHRBRD4CYP17A1CYP19A1TDP1
SCHEMBL14857787 0.77 ALDH1A1 (0.41) TSHRBRD4CYP17A1CYP19A1
SCHEMBL5674598 0.76 TAAR1 (0.47) TSHRBRD4CYP19A1SLC6A2SLC6A4
SCHEMBL27875013 0.76 TSHR (0.40) TSHRCYP19A1KMT2ASLC6A2SLC6A4
SCHEMBL730151 0.76 TSHR (0.44) TSHRBRD4CYP17A1CYP19A1SLC6A2
SCHEMBL14858160 0.75 HPGD (0.36)
SCHEMBL732500 0.73 TSHR (0.41) TSHRBRD4CYP17A1CYP19A1SLC6A2
SCHEMBL27693133 0.72 BRD4 (0.40) TSHRBRD4CYP19A1KMT2A

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 15 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
CN-109535155-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维公司 2019-03-29 CN disclosed
CN-103958508-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维公司 2019-02-12 CN 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-9877958-B2 Apoptosis-induced agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2018-01-30 US disclosed
EP-3266776-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2018-01-10 EP disclosed
US-20160206611-A1 APOPTOSIS-INDUCED AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-07-21 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
CN-103958508-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC 2014-07-30 CN 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

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 TSHR 3610/4885BRD4 217/4885CYP17A1 4019/4885
US-20210346369-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BAX, BCL2, BCL3 TSHR 3610/4885BRD4 217/4885CYP17A1 4019/4885
US-20180221363-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BAX, BCL2, BCL3 TSHR 3610/4885BRD4 217/4885CYP17A1 4019/4885
US-20130096121-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2A1, BCL2L1, BCL2L11 TSHR 4223/4885BRD4 126/4885CYP17A1 3949/4885
US-20160206611-A1 APOPTOSIS-INDUCED AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BAX, BCL2, BCL3 TSHR 3526/4885BRD4 256/4885CYP17A1 4008/4885
US-20150152097-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BAX, BCL2, BCL3 TSHR 3610/4885BRD4 217/4885CYP17A1 4019/4885

“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.