SCHEMBL30745813

SCHEMBL30745813

CN(C)C1CCN(c2ccc(NC(=O)O)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.47
MAPT P10636 11/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
WDR5 P61964 1/20 0.41
CYP3A4 P08684 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41

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
SCHEMBL19633305 0.91 MAPT (0.54) PLK1MAPTALDH1A1MAPK1GAA
SCHEMBL28616996 0.84 MAPT (0.52) PLK1MAPTALDH1A1MAPK1KMT2A
SCHEMBL19633404 0.83 MAPT (0.53) PLK1MAPTALDH1A1MAPK1GAA
SCHEMBL27763639 0.82 PLK1 (0.45) PLK1MAPTALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL590949 0.81 PLK1 (0.45) PLK1MAPTALDH1A1GAAKMT2A
SCHEMBL16654009 0.79 TP53 (0.55) MAPTALDH1A1MAPK1GAAKMT2A
SCHEMBL16654897 0.79 MAPT (0.49) MAPTALDH1A1GAAKMT2ANPSR1
SCHEMBL19633456 0.78 MAPT (0.51) MAPTALDH1A1MAPK1GAAKMT2A
SCHEMBL111292 0.76 LMNA (0.66) MAPTALDH1A1MAPK1GAAKMT2A
SCHEMBL591100 0.75 PLK1 (0.46) PLK1MAPTALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12358898-B2 Pyrimidine derivative, method for preparing same and use thereof in medicine ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2025-07-15 US disclosed
US-20240018130-A1 Pyrimidine Derivative, Method For Preparing Same And Use Thereof In Medicine ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2024-01-18 US disclosed
US-11827625-B2 Pyrimidine derivative, method for preparing same and use thereof in medicine ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. 2023-11-28 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 (3 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-11827625-B2 Pyrimidine derivative, method for preparing same and use thereof in medicine FGFR4, FGFR1, FGFR2 PLK1 80/4885MAPT 2403/4885ALDH1A1 1084/4885
US-12358898-B2 Pyrimidine derivative, method for preparing same and use thereof in medicine FGFR4, FGFR1, FGFR2 PLK1 80/4885MAPT 2403/4885ALDH1A1 1084/4885
US-20240018130-A1 Pyrimidine Derivative, Method For Preparing Same And Use Thereof In Medicine FGFR4, FGFR1, FGFR2 PLK1 80/4885MAPT 2403/4885ALDH1A1 1084/4885

“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.