SCHEMBL5127682

SCHEMBL5127682

CC(C)NC(C)CN(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
APEX1 P27695 1/20 0.31
PMP22 Q01453 1/20 0.31
SLC6A4 P31645 1/20 0.30

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
SCHEMBL19397723 1.00 TDP1 (0.39) TDP1CYP1A2CYP2D6APEX1PMP22
SCHEMBL19397732 1.00 TDP1 (0.39) TDP1CYP1A2CYP2D6APEX1PMP22
SCHEMBL5933494 0.88 HTR2A (0.31)
SCHEMBL31374746 0.79 TDP1 (0.41) TDP1CYP1A2CYP2D6APEX1PMP22
SCHEMBL2162408 0.78 ALDH1A1 (0.32) TDP1
SCHEMBL8390201 0.76
SCHEMBL21558762 0.76 PIK3CD (0.38) TDP1CYP1A2CYP2D6APEX1PMP22
SCHEMBL20024603 0.74
SCHEMBL1348892 0.73
SCHEMBL6782207 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130011314-A1 METHOD OF REMOVING ACID COMPOUNDS FROM A GASEOUS EFFLUENT WITH AN ABSORBENT SOLUTION BASED ON I, II/III DIAMINES IFP Energies Nouvelles (FR) 2013-01-10 US claimed
CN-118076659-A Flame retardant rigid high density polyurethane foam 陶氏化学墨西哥股份公司 2024-05-24 CN disclosed
US-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 US disclosed
US-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 US disclosed
WO-2023098730-A1 COMPOUND CONTAINING CYCLOALKYL OR HALOALKYL 正大天晴药业集团股份有限公司 2023-06-08 WO disclosed
US-20230114207-A1 THE COMBINATION OF CYCLIN DEPENDENT KINASE 7 INHIBITOR AND IMMUNOTHERAPY FOR TREATMENT OF CANCER DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-04-13 US disclosed
CN-111655805-B Polyols for low VOC polyurethane applications 斯蒂潘公司 2023-01-10 CN disclosed
US-20220024929-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-01-27 US disclosed
US-20210115051-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-22 US disclosed
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-22 US disclosed
US-8871304-B2 (Amide amino alkane) metal compound, method of manufacturing metal-containing thin film using said metal compound UBE INDUSTRIES, LTD. (JP) 2014-10-28 US disclosed
US-20140309211-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2014-10-16 US disclosed
US-8791112-B2 Substituted 5-(pyrazin-2-yl)-1H-pyrazolo [3, 4-B] pyridine and pyrazolo [3, 4-B] pyridine derivatives as protein kinase inhibitors ARRIEN PHARMACEUTICALS LLC (US) 2014-07-29 US disclosed
US-20130273250-A1 (AMIDE AMINO ALKANE) METAL COMPOUND, METHOD OF MANUFACTURING METAL-CONTAINING THIN FILM USING SAID METAL COMPOUND UBE INDUSTRIES, LTD (JP) 2013-10-17 US disclosed
EP-2636674-A1 (AMIDE AMINO ALKANE) METAL COMPOUND, METHOD OF MANUFACTURING METAL-CONTAINING THIN FILM USING SAID METAL COMPOUND Ube Industries, Ltd. (JP) 2013-09-11 EP disclosed
US-20130102586-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ARRIEN PHARMACEUTICALS LLC (US) 2013-04-25 US disclosed
US-20130011314-A1 METHOD OF REMOVING ACID COMPOUNDS FROM A GASEOUS EFFLUENT WITH AN ABSORBENT SOLUTION BASED ON I, II/III DIAMINES IFP Energies Nouvelles (FR) 2013-01-10 US disclosed
US-20130011314-A1 METHOD OF REMOVING ACID COMPOUNDS FROM A GASEOUS EFFLUENT WITH AN ABSORBENT SOLUTION BASED ON I, II/III DIAMINES IFP Energies Nouvelles (FR) 2013-01-10 US disclosed
WO-2008020225-A1 FLUID COMPOSITION INEOS FLUOR HOLDINGS LIMITED (GB) 2008-02-21 WO disclosed
EP-0355713-A2 Polyurethane foam prepared with reduced levels of hard halocarbon blowing agents THE DOW CHEMICAL COMPANY (US) 1990-02-28 EP 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 (8 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-20220024929-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 TDP1 1168/4885CYP1A2 1390/4885CYP2D6 489/4885
US-20130273250-A1 (AMIDE AMINO ALKANE) METAL COMPOUND, METHOD OF MANUFACTURING METAL-CONTAINING THIN FILM USING SAID METAL COMPOUND GNMT, SLC43A1, BET1 TDP1 2924/4885CYP1A2 3006/4885CYP2D6 3518/4885
US-20140309211-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K9, MAP3K19, MAP4K2 TDP1 496/4885CYP1A2 3903/4885CYP2D6 2887/4885
US-20210115051-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 TDP1 1168/4885CYP1A2 1390/4885CYP2D6 489/4885
US-20230114207-A1 THE COMBINATION OF CYCLIN DEPENDENT KINASE 7 INHIBITOR AND IMMUNOTHERAPY FOR TREATMENT OF CANCER CDK7, CDC7, CDK8 TDP1 844/4885CYP1A2 4854/4885CYP2D6 4685/4885
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 TDP1 1168/4885CYP1A2 1390/4885CYP2D6 489/4885
US-11680064-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 TDP1 1208/4885CYP1A2 4171/4885CYP2D6 4300/4885
US-20130102586-A1 SUBSTITUTED 5-(PYRAZIN-2-YL)-1H-PYRAZOLO [3, 4-B] PYRIDINE AND PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K9, MAP3K19, MAP4K2 TDP1 496/4885CYP1A2 3903/4885CYP2D6 2887/4885

“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.