SCHEMBL25458367

SCHEMBL25458367

CC[C@H](CO)Nc1cc(-c2ccc(Cl)cc2)nc(-c2cccnc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.48
DYRK3 O43781 2/20 0.48
CCNT1 O60563 2/20 0.48
CDK9 P50750 2/20 0.48
CDK5 Q00535 2/20 0.48
CDK5R1 Q15078 2/20 0.48
DYRK2 Q92630 2/20 0.48
DYRK1B Q9Y463 2/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
FYN P06241 3/20 0.47
ADORA3 P0DMS8 5/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
AHR P35869 1/20 0.44
KMT2A Q03164 2/20 0.43
CLK4 Q9HAZ1 1/20 0.43
PPARG P37231 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43

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
SCHEMBL30085635 1.00 DYRK1A (0.48) DYRK1ADYRK3CCNT1CDK9CDK5
SCHEMBL30085794 1.00 DYRK1A (0.48) DYRK1ADYRK3CCNT1CDK9CDK5
SCHEMBL28895026 1.00 DYRK1A (0.48) DYRK1ADYRK3CCNT1CDK9CDK5
SCHEMBL28894743 0.93 DYRK1A (0.46) DYRK1ADYRK3CCNT1CDK9CDK5
SCHEMBL30085767 0.93 DYRK1A (0.46) DYRK1ADYRK3CCNT1CDK9CDK5
SCHEMBL30085415 0.87 ADORA3 (0.47) DYRK1AADORA3CYP3A4CYP2C9AHR
SCHEMBL28894687 0.87 AHR (0.49) DYRK1AADORA3CYP3A4CYP2C9AHR
SCHEMBL25458371 0.87 AHR (0.49) DYRK1AADORA3CYP3A4CYP2C9AHR
SCHEMBL30085643 0.87 AHR (0.49) DYRK1AADORA3CYP3A4CYP2C9AHR
SCHEMBL30085403 0.87 AHR (0.49) DYRK1AADORA3CYP3A4CYP2C9AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115397818-A Aminopyrimidine derivatives and their use as modulators of arene receptors 东亚ST株式会社 2022-11-25 CN claimed
US-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-18 US disclosed
US-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-18 US disclosed
CN-115397818-A Aminopyrimidine derivatives and their use as modulators of arene receptors 东亚ST株式会社 2022-11-25 CN 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 (1 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-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, AIPL1 DYRK1A 2751/4885DYRK3 3437/4885CCNT1 2973/4885

“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.