SCHEMBL21816615

SCHEMBL21816615

CN1CC=C(C2=CCN(C(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.56
GRM1 Q13255 11/20 0.53
GRM5 P41594 11/20 0.53
NAMPT P43490 1/20 0.52
HTR6 P50406 1/20 0.48
JAK1 P23458 1/20 0.47
GPR119 Q8TDV5 1/20 0.44
CYP11B2 P19099 1/20 0.44
TNK2 Q07912 1/20 0.44

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
SCHEMBL21359271 0.84 PDK4 (0.55) PDK4GRM1GRM5NAMPTHTR6
SCHEMBL14003326 0.83 PDK4 (0.54) PDK4GRM1GRM5NAMPTHTR6
SCHEMBL8912847 0.81 NAMPT (0.63) PDK4GRM1GRM5NAMPTHTR6
SCHEMBL2239831 0.81 NAMPT (0.66) PDK4GRM1GRM5NAMPTHTR6
SCHEMBL21871400 0.81 PDK4 (0.52) PDK4GRM1GRM5NAMPTHTR6
SCHEMBL904049 0.80 NAMPT (0.61) PDK4GRM1GRM5NAMPTHTR6
SCHEMBL2594283 0.79 GRM1 (0.65) PDK4GRM1GRM5NAMPT
SCHEMBL2908091 0.79 NAMPT (0.60) PDK4GRM1GRM5NAMPTHTR6
SCHEMBL18619842 0.79 NAMPT (0.60) PDK4GRM1GRM5NAMPTHTR6
SCHEMBL7470566 0.79 GRM5 (0.60) PDK4GRM1GRM5NAMPTHTR6

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 8 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, EGFR PDK4 628/4885GRM1 2894/4885GRM5 1671/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR PDK4 628/4885GRM1 2894/4885GRM5 1671/4885

“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.