SCHEMBL25587767

SCHEMBL25587767

CN(Cc1ccc(Br)c(F)c1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RIPK1 Q13546 7/20 0.37
PTPRB P23467 1/20 0.35
LTA4H P09960 1/20 0.34
HTT P42858 2/20 0.33
MEP1B Q16820 2/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MITF O75030 1/20 0.31
KDM1A O60341 3/20 0.31
RCOR1 Q9UKL0 1/20 0.31
KCNH2 Q12809 2/20 0.31
KDM1B Q8NB78 1/20 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
SCHEMBL25488451 0.84 RIPK1 (0.50) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL20095413 0.82 HRH3 (0.45) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL25587791 0.80 CYP1A2 (0.38) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL25587768 0.79 MEN1 (0.40) CYP1A2CYP2C19LTA4HALDH1A1
SCHEMBL22651829 0.79 PYCR1 (0.39) RIPK1LTA4HHTTKDM4EALDH1A1
SCHEMBL25587795 0.78 CYP1A2 (0.49) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL22651830 0.76 CNR2 (0.40) RIPK1HTTALDH1A1KCNH2
SCHEMBL20585007 0.76 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL23961649 0.76 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL901908 0.75 RIPK1 (0.34) CYP1A2CYP2D6CYP2C9CYP2C19RIPK1

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-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-06-15 US disclosed
US-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-06-15 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 (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-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES ADORA1, OXGR1, ADORA2A CYP1A2 1006/4885CYP2D6 824/4885CYP2C9 2045/4885

“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.