SCHEMBL3222967

SCHEMBL3222967

CC(=O)N1CCN(C(N)=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PIK3CD O00329 1/20 0.46
CASP6 P55212 1/20 0.45
GFER P55789 1/20 0.45
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX2 P34913 1/20 0.38
MEN1 O00255 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37

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
SCHEMBL20614505 1.00 CYP1A2 (0.59) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL23011655 0.93 CYP1A2 (0.52) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL572569 0.85 ALDH1A1 (0.45) CYP1A2TDP1KDM4EALDH1A1KMT2A
SCHEMBL860793 0.85 CYP1A2 (0.77) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL14407779 0.85 CYP1A2 (0.77) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL37407 0.85
SCHEMBL422638 0.85
SCHEMBL21056389 0.82 ACACB (0.44) CYP1A2TDP1EPHX2
SCHEMBL5430146 0.79 CYP1A2 (0.54) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL3249258 0.79 CYP1A2 (0.54) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200207779-A2 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2020-07-02 US claimed
US-20190211030-A1 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2019-07-11 US claimed
EP-3498716-A1 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS Hongyun Biotech Co., Ltd. (CN) 2019-06-19 EP claimed
CN-109575045-A Thienopyrimidines, preparation method, Pharmaceutical composition and its application 南京红云生物科技有限公司 2019-04-05 CN claimed
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP claimed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US claimed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US claimed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP claimed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO claimed
US-7166599-B2 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 US claimed
US-20050090486-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-04-28 US claimed
US-20030134838-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-17 US claimed
EP-0824544-B1 PEPTIDYL COMPOUNDS WHICH INHIBIT METALLOPROTEINASE AND TNF LIBERATION AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-04-16 EP claimed
US-6214604-B1 PURE CULTURE OF BURKHOLDERIA STRAIN DSM 9925 LONZA AG (CH) 2001-04-10 US claimed
EP-3793565-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2022-01-05 EP disclosed
US-11078213-B2 Thienopyrimidine compound, preparation method thereof, pharmaceutical composition and application thereof Hongyun Biotech Co., Ltd. (CN) 2021-08-03 US disclosed
CN-109575045-B Thienopyrimidine compound, preparation method thereof, medicinal composition and application thereof 南京红云生物科技有限公司 2021-02-12 CN disclosed
US-6214604-B1 PURE CULTURE OF BURKHOLDERIA STRAIN DSM 9925 LONZA AG (CH) 2001-04-10 US disclosed
CN-1273582-A New process for producing aminoperazine derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-11-15 CN disclosed
EP-1043320-A1 NEW PROCESS FOR PRODUCING AMINOPIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-10-11 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-20030134838-A1 Trisubstituted pyrimidines APP, PSEN1, BACE1 CYP1A2 409/4885TDP1 17/4885SMN1; SMN2 131/4885
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 CYP1A2 331/4885TDP1 1722/4885SMN1; SMN2 4832/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 CYP1A2 290/4885TDP1 38/4885SMN1; SMN2 178/4885
US-20190211030-A1 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ALK, MET, TIE1 CYP1A2 1209/4885TDP1 1408/4885SMN1; SMN2 3893/4885
US-20200207779-A2 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ALK, MET, TIE1 CYP1A2 1209/4885TDP1 1408/4885SMN1; SMN2 3893/4885
US-11078213-B2 Thienopyrimidine compound, preparation method thereof, pharmaceutical composition and application thereof ALK, MET, TIE1 CYP1A2 1209/4885TDP1 1408/4885SMN1; SMN2 3893/4885

“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.