SCHEMBL2376936

SCHEMBL2376936

CN(CCN1CCOCC1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CTSS P25774 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
TACR1 P25103 1/20 0.39
TACR3 P29371 1/20 0.39
CASR P41180 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 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
SCHEMBL20688772 0.91 CTSD (0.44) CTSDCTSLCTSBCTSSSMN1; SMN2
SCHEMBL21574166 0.86 CTSD (0.41) CTSDCTSLCTSBCTSSSMN1; SMN2
SCHEMBL30621313 0.86 SMN1; SMN2 (0.46) CTSDCTSLCTSBCTSSSMN1; SMN2
SCHEMBL9539389 0.86 SIGMAR1 (0.46)
SCHEMBL21871203 0.84 SIGMAR1 (0.45) ALDH1A1POLB
SCHEMBL21816694 0.84 PAOX (0.37) CTSDCTSLCTSBCTSSALDH1A1
SCHEMBL16932531 0.84 PAOX (0.51) CTSDCTSLCTSBCTSSSMN1; SMN2
SCHEMBL16932537 0.84 PAOX (0.51) CTSDCTSLCTSBCTSSSMN1; SMN2
SCHEMBL16932535 0.83 NPSR1 (0.42) CTSDCTSLCTSBCTSSSMN1; SMN2
SCHEMBL9358875 0.83 POLB (0.47) SMN1; SMN2KMT2ACD274TDP1ALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
US-20220267352-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-08-25 US disclosed
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 US disclosed
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 US disclosed
EP-3640248-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-04-22 EP disclosed
EP-3640248-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-04-22 EP disclosed
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-03-19 US disclosed
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-03-19 US disclosed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 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 (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-20220267352-A1 RAPAMYCIN ANALOGS AND USES THEREOF RICTOR, MTOR, RPTOR CTSD 2245/4885CTSL 1895/4885CTSB 797/4885
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 CTSD 4225/4885CTSL 4482/4885CTSB 4236/4885
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, EGFR CTSD 3719/4885CTSL 1387/4885CTSB 4048/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR CTSD 3719/4885CTSL 1387/4885CTSB 4048/4885

“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.