SCHEMBL24914929

SCHEMBL24914929

CCC(C)(O)c1cccc(CN=[N+]=[N-])n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31

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
SCHEMBL23190317 0.88 KDM4E (0.35) KDM4EALDH1A1HRH4GRIN2DGRIN3B
SCHEMBL20416531 0.87 HCRTR1 (0.37) KDM4EALDH1A1HRH4GRIN2DGRIN3B
SCHEMBL20436467 0.85 KDM4E (0.35) KDM4EALDH1A1HRH4GRIN2DGRIN3B
SCHEMBL20436478 0.85 KDM4E (0.38) KDM4EALDH1A1HRH4GRIN2DGRIN3B
SCHEMBL20416566 0.85 KDM4E (0.38) KDM4EALDH1A1HRH4GRIN2DGRIN3B
SCHEMBL20442148 0.84
SCHEMBL24914961 0.82 KDM4E (0.32) KDM4EALDH1A1HRH4HCRTR1HCRTR2
SCHEMBL21790631 0.82 ADORA2A (0.38) KDM4EALDH1A1HRH4GRIN2DGRIN3B
SCHEMBL25543528 0.82 ADORA2A (0.38) KDM4EALDH1A1HRH4GRIN2DGRIN3B
SCHEMBL24915365 0.81 KDM4E (0.34) KDM4EALDH1A1HRH4GRIN2DGRIN3B

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-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
EP-4122927-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2023-01-25 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 (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-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 KDM4E 3858/4885ALDH1A1 616/4885HRH4 310/4885

“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.