SCHEMBL213822

SCHEMBL213822

C1COC2(CCNCC2)OC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 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
SCHEMBL9832 0.88 MEN1 (0.33) MEN1KMT2AKDM4EGAACYP2C9
SCHEMBL22607230 0.87 CXCR4 (0.30)
Pyrrolidine SCHEMBL18817855 0.86 ALDH1A1 (0.40)
Ammonia Solution, Strong SCHEMBL19410117 0.86 MEN1 (0.32) MEN1KMT2AKDM4EGAACYP2C9
Hydrochloric Acid SCHEMBL3512993 0.86 MEN1 (0.32) MEN1KMT2AKDM4EGAACYP2C9
SCHEMBL22349255 0.85 ALDH1A1 (0.35)
SCHEMBL8223874 0.84
SCHEMBL1222103 0.84 CXCR4 (0.32)
Hydrochloric Acid SCHEMBL25183519 0.82 CXCR4 (0.30)
SCHEMBL30964231 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528910-B1 5-Alkynyl pyrimidines ahd their use as kinase inhibitors. BOEHRINGER INGELHEIM INT (DE) 2015-03-18 EP claimed
US-8618111-B2 5-alkynyl-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-31 US claimed
US-20120028958-A1 5-ALKYNYL-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US claimed
US-20040224945-A1 Novel substituted pyrazole derivatives BAYER HEALTHCARE AG (DE) 2004-11-11 US claimed
CN-116354897-B Substituted 1,2, 4-triazole, pyridine and pyrimidine derivatives and application thereof in medicines 华东师范大学 2024-10-15 CN disclosed
US-20240101549-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)-QUINOLINE-4-CARBOXAMIDES ASTRAZENECA AB (SE) 2024-03-28 US disclosed
US-11858924-B2 N-(2-(4-cyanothiazolidin-3-yl)-2-oxoethyl)-quinoline-4-carboxamides ASTRAZENECA (SE) 2024-01-02 US disclosed
EP-4263535-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)- QUINOLINE-4-CARBOXAMIDES Astrazeneca AB (SE) 2023-10-25 EP disclosed
US-20230312550-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)-QUINOLINE-4-CARBOXAMIDES ASTRAZENECA AB (SE) 2023-10-05 US disclosed
WO-2023116865-A1 PYRAZOLE-CONTAINING DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 优领医药科技(上海)有限公司 2023-06-29 WO disclosed
WO-2023072096-A1 TETRAHYDROFURAN-CONTAINING POLYCYCLIC DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 优领医药科技(香港)有限公司 2023-05-04 WO disclosed
US-20230014173-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2023-01-19 US disclosed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 WO disclosed
WO-1999046259-A1 5-HETEROARYL SUBSTITUTED INDOLES H. LUNDBECK A/S (DK) 1999-09-16 WO disclosed
EP-0562042-A4 QUINOLINE, NAPHTHYRIDINE AND PYRIDOBENZOXAZINE DERIVATIVES ABBOTT LAB (US) 1994-07-06 EP disclosed
EP-0562042-A1 QUINOLINE, NAPHTHYRIDINE AND PYRIDOBENZOXAZINE DERIVATIVES ABBOTT LABORATORIES (US) 1993-09-29 EP disclosed
US-5137892-A Bactericides ABBOTT LABORATORIES (US) 1992-08-11 US disclosed
WO-1992010191-A1 QUINOLINE, NAPHTHYRIDINE AND PYRIDOBENZOXAZINE DERIVATIVES ABBOTT LABORATORIES (US) 1992-06-25 WO disclosed
US-4263202-A PHOTOSTABILIZERS FOR PLASTICS USING METAL PHENOLATES CIBA-GEIGY CORPORATION (US) 1981-04-21 US disclosed
EP-0000700-A1 Metal complexes with a chelating anion comprising a phenolate group, their preparation and their use as light stabilizers, especially for polymeric substances CIBA-GEIGY AG (CH) 1979-02-21 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 (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-20040224945-A1 Novel substituted pyrazole derivatives CYP11B2, CYP11B1, ADRB3 MEN1 2063/4885KMT2A 4581/4885KDM4E 4674/4885
US-20120028958-A1 5-ALKYNYL-PYRIMIDINES MKI67, CCNA1, CCNT1 MEN1 2235/4885KMT2A 2597/4885KDM4E 1424/4885
US-20230014173-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 MEN1 2036/4885KMT2A 4441/4885KDM4E 3387/4885
US-20240101549-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)-QUINOLINE-4-CARBOXAMIDES FAP, PREP, CTRL MEN1 1482/4885KMT2A 1862/4885KDM4E 895/4885
US-20230312550-A1 N-(2-(4-CYANOTHIAZOLIDIN-3-YL)-2-OXOETHYL)-QUINOLINE-4-CARBOXAMIDES FAP, PREP, CTRL MEN1 1482/4885KMT2A 1862/4885KDM4E 895/4885
US-11858924-B2 N-(2-(4-cyanothiazolidin-3-yl)-2-oxoethyl)-quinoline-4-carboxamides FAP, PREP, CTRL MEN1 1482/4885KMT2A 1862/4885KDM4E 895/4885

“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.