SCHEMBL380271

SCHEMBL380271

[CH2]CCNCCCCN(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
PAOX Q6QHF9 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 3/20 0.42
DNM1 Q05193 3/20 0.39
DPP7 Q9UHL4 2/20 0.38
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.35
PRMT3 O60678 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRMT1 Q99873 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
ALOX15 P16050 1/20 0.32
TERT O14746 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
SCHEMBL3853864 0.93 TDP1 (0.60) TDP1PAOXALDH1A1TSHRCYP2C19
SCHEMBL756103 0.87 TDP1 (0.64) TDP1PAOXALDH1A1TSHRCYP2C19
SCHEMBL759749 0.85 ALDH1A1 (0.65) TDP1PAOXALDH1A1TSHRCYP2C19
SCHEMBL758147 0.85 ALDH1A1 (0.65) TDP1PAOXALDH1A1TSHRCYP2C19
SCHEMBL14943804 0.85 TDP1 (0.68) TDP1PAOXALDH1A1TSHRCYP2C19
SCHEMBL6747424 0.85 ALDH1A1 (0.65) TDP1PAOXALDH1A1TSHRCYP2C19
SCHEMBL6142342 0.82 TDP1 (0.65) TDP1PAOXALDH1A1TSHRCYP2C19
SCHEMBL2461414 0.82
SCHEMBL6142374 0.80 CYP2C19 (0.61) TDP1PAOXALDH1A1TSHRCYP2C19
SCHEMBL5131976 0.79 TDP1 (0.68) TDP1PAOXALDH1A1TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605404-B Novel thiazole-containing compound, intermediate and application thereof 合肥美诺医药有限公司 2024-01-05 CN disclosed
CN-114621213-B Thiazole-containing compound, intermediate and application thereof 合肥美诺医药有限公司 2023-12-08 CN disclosed
CN-114621213-A Thiazole-containing compound and intermediate and application thereof 苏州美诺医药科技有限公司 2022-06-14 CN disclosed
CN-114605404-A Novel thiazole-containing compound, intermediate and application thereof 苏州美诺医药科技有限公司 2022-06-10 CN disclosed
CN-112939948-B Novel quinazoline-containing compound, intermediate and application thereof 苏州美诺医药科技有限公司 2022-05-17 CN disclosed
EP-2367800-B9 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER IPHARMA H K LTD (HK) 2021-10-20 EP disclosed
WO-2021115432-A1 NOVEL QUINAZOLINE-CONTAINING COMPOUND, AND INTERMEDIATE THEREOF AND USE THEREOF 苏州长禾药业股份有限公司 2021-06-17 WO disclosed
CN-112939948-A Novel quinazoline-containing compound, intermediate and application thereof 苏州长禾药业股份有限公司 2021-06-11 CN disclosed
EP-2367799-B1 2-AMINO-5-TRIFLUOROMETHYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS PTK2 KINASE INHIBITORS IPHARMA H K LTD (HK) 2018-08-01 EP disclosed
EP-2367800-B1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER BOEHRINGER INGELHEIM INT (DE) 2018-02-28 EP disclosed
WO-2007113245-A1 THIAZOLYL DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 WO disclosed
WO-2007113246-A1 THIAZOLYLDIHYDROINDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 WO disclosed
US-20070207999-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-06 US disclosed
WO-2007096351-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES FOR THE TREATMENT AND/OR PREVENTION OF CANCER, INFECTIONS, INFLAMMATORY AND AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-30 WO disclosed
EP-1799690-A1 THIAZOLYL-DIHYDRO INDAZOLES Boehringer Ingelheim International GmbH (DE) 2007-06-27 EP disclosed
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 US disclosed
US-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-04 US disclosed
WO-2006131552-A1 ALPHA-CARBOLINES AS CDK-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-14 WO disclosed
US-20060100254-A1 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 US disclosed
WO-2006040281-A1 THIAZOLYL-DIHYDRO INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-20 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 (4 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-20060100254-A1 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases CDK1, MAPK1, NFATC1 TDP1 2241/4885PAOX 823/4885ALDH1A1 1013/4885
US-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors AURKA, AURKC, AURKB TDP1 100/4885PAOX 4303/4885ALDH1A1 1508/4885
US-20070207999-A1 New Compounds CCNA1, MKI67, CCNT1 TDP1 1176/4885PAOX 1518/4885ALDH1A1 398/4885
US-20070004684-A1 Alpha-Carbolines as CDK-1 inhibitors CDKL1, CDK1, CCNA1 TDP1 188/4885PAOX 4031/4885ALDH1A1 1062/4885

“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.