SCHEMBL84933

SCHEMBL84933

CCC(=O)NCCN1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
POLB P06746 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KMT2A Q03164 1/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
Formic Acid SCHEMBL6624948 0.94 TSHR (0.54) TSHRPOLBTDP1SMN1; SMN2KMT2A
SCHEMBL8433585 0.90 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1
SCHEMBL85431 0.86 TSHR (0.60) TSHRPOLBTDP1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL5843426 0.85 TSHR (0.62) TSHRPOLBTDP1SMN1; SMN2KMT2A
SCHEMBL9602488 0.84 TSHR (0.58) TSHRPOLBTDP1SMN1; SMN2KMT2A
SCHEMBL23929061 0.84 SMN1; SMN2 (0.82) TSHRPOLBTDP1SMN1; SMN2KMT2A
SCHEMBL3464761 0.84 SMN1; SMN2 (0.59) TSHRPOLBTDP1SMN1; SMN2KMT2A
SCHEMBL5176558 0.84 SMN1; SMN2 (0.59) TSHRPOLBTDP1SMN1; SMN2KMT2A
SCHEMBL3464764 0.84 SMN1; SMN2 (0.59) TSHRPOLBTDP1SMN1; SMN2KMT2A
SCHEMBL1726735 0.83 TSHR (0.57) TSHRPOLBTDP1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109580756-A Composition applied to Capillary Electrophoresis 杨翠芳 2019-04-05 CN claimed
EP-2036895-B1 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-01-16 EP claimed
EP-1756088-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2007-02-28 EP claimed
WO-2005118572-A1 QUINAZOLINE DERIVATIVES AS ERBB RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2005-12-15 WO claimed
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
CN-110172051-B IRE-1 alpha inhibitors 复星弘创(苏州)医药科技有限公司 2023-03-07 CN disclosed
US-20220135552-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2022-05-05 US disclosed
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 US disclosed
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 WO disclosed
CN-110172051-A IRE-1 alpha inhibitor 复星弘创(苏州)医药科技有限公司 2019-08-27 CN disclosed
US-RE47493-E1 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-09 US disclosed
CN-107082770-B IRE-1 alpha inhibitor 复星弘创(苏州)医药科技有限公司 2019-04-23 CN disclosed
WO-2008013618-A1 PROCESS FOR PREPARING ALKYNE INTERMEDIATES FOR DENDRITIC POLYMERS DENDRITIC NANOTECHNOLOGIES, INC. (US) 2008-01-31 WO disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION 2007-10-04 US disclosed
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 US disclosed
US-7262182-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2007-08-28 US disclosed
EP-0090063-B1 PROCESS FOR MAKING N-(2-AMINOETHYL)AMIDES FROM OXAZOLINES AND AMINES THE DOW CHEMICAL COMPANY (US) 1985-09-11 EP disclosed
EP-0090063-A1 Process for making N-(2-aminoethyl)amides from oxazolines and amines THE DOW CHEMICAL COMPANY (US) 1983-10-05 EP disclosed
US-4326067-A FROM OXAZOLINE WITH AN AMINE THE DOW CHEMICAL COMPANY (US) 1982-04-20 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-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors GRK2, GRK3, BLK TSHR 395/4885POLB 3371/4885TDP1 2691/4885
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TSHR 705/4885POLB 1480/4885TDP1 1084/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 TSHR 94/4885POLB 4096/4885TDP1 1945/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET TSHR 1253/4885POLB 2206/4885TDP1 2357/4885
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES AHR, HRH4, HRH1 TSHR 838/4885POLB 4033/4885TDP1 1588/4885
US-20220135552-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS PLK1, CDK1, AURKC TSHR 542/4885POLB 483/4885TDP1 1975/4885

“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.