SCHEMBL24096151

SCHEMBL24096151

CSc1ncc2c(n1)CN(C1CC1)C2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.39
▸ GRM5 P41594 2/20 0.36
▸ IDH1 O75874 1/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ PIM1 P11309 2/20 0.35
▸ TTK P33981 2/20 0.35
▸ PIM2 Q9P1W9 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ JAK2 O60674 3/20 0.33
▸ JAK1 P23458 3/20 0.33
▸ TYK2 P29597 3/20 0.33

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
SCHEMBL24096237 0.91 GABRA1 (0.42) MAOAGRM5IDH1HTR2AKDM4E
SCHEMBL24096217 0.89 GABRA1 (0.38) MAOAIDH1HTR2AMAPK1KDM4E
SCHEMBL24096167 0.88 LRRK2 (0.36) MAOAHTR2AKDM4EHPGDMEN1
SCHEMBL24096155 0.88 KDM4E (0.32) MAOAHTR2AKDM4EHPGDMEN1
SCHEMBL24096222 0.87 PARP1 (0.43) MAOAHTR2ACCNA2CDK2
SCHEMBL25162856 0.87 MERTK (0.34) MAOAHTR2APIM1TTKPIM2
SCHEMBL24096063 0.86 GABRA1 (0.37) MAOAHTR2AKDM4EHPGDMEN1
SCHEMBL24096279 0.85 MAOA (0.34) MAOAHTR2AKDM4EHPGDMEN1
Hydrochloric Acid SCHEMBL20986872 0.83 PARP1 (0.40) HTR2APIM1TTKPIM2MAPK1
Hydrochloric Acid SCHEMBL20986873 0.83 PARP1 (0.40) HTR2APIM1TTKPIM2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230123268-A1 AMINO-PYRIMIDINE CYCLO-AMIDES HOFFMANN-LA ROCHE INC. (US) 2023-04-20 — — US disclosed
WO-2021249904-A2 AMINO-PYRIMIDINE CYCLO-AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 — — WO 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-20230123268-A1 AMINO-PYRIMIDINE CYCLO-AMIDES ATXN2, ATXN2L, ATXN10 MAOA 244/4885GRM5 1650/4885IDH1 338/4885

“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.

Send feedback