SCHEMBL7456444

SCHEMBL7456444

COc1nn2ccc(C)nc2c1N

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.36
HTR6 P50406 3/20 0.36
MAT2A P31153 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIK3CG P48736 8/20 0.34
PIK3CD O00329 7/20 0.34
PIK3CA P42336 7/20 0.34
PTGS2 P35354 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PDE2A O00408 1/20 0.32
LMNA P02545 1/20 0.31
SMPD3 Q9NY59 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
SCHEMBL15308500 0.72 ALDH1A1 (0.45) HTR6ALDH1A1HPGDHSD17B10PTGS2
SCHEMBL7453195 0.71 SMPD3 (0.43) JAK2HTR6HPGDPIK3CGPDE2A
SCHEMBL7450810 0.70 TSHR (0.46) HTR6ALDH1A1HPGDHSD17B10PIK3CG
SCHEMBL7456267 0.70 KDM4E (0.48) HTR6ALDH1A1HPGDHSD17B10PIK3CG
SCHEMBL16630785 0.69 ALDH1A1 (0.42) HTR6ALDH1A1HPGDHSD17B10PTGS2
Hydrochloric Acid SCHEMBL8800842 0.69 TSHR (0.45) HTR6ALDH1A1HPGDHSD17B10PIK3CG
SCHEMBL7465054 0.69 MEN1 (0.42) ALDH1A1HPGDHSD17B10PIK3CGLMNA
SCHEMBL23047161 0.67 PDE10A (0.44) HTR6ALDH1A1HPGDHSD17B10PIK3CG
SCHEMBL23023571 0.67 ADORA2A (0.40) JAK2HTR6ALDH1A1HPGDHSD17B10
SCHEMBL21526649 0.67 ALDH1A1 (0.41) HTR6ALDH1A1HPGDHSD17B10PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods L'OREAL SA (FR) 2002-12-05 US claimed
EP-1175198-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2002-01-30 EP claimed
WO-2001062220-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2001-08-30 WO claimed
US-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods L'OREAL SA (FR) 2002-12-05 US disclosed
EP-1175198-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2002-01-30 EP disclosed
WO-2001062220-A1 OXIDATION DYEING COMPOSITION FOR KERATINOUS FIBRES COMPRISING A N-(2-HYDROBENZENE)-CARBAMATE OR A N-(2-HYDROXY-BENZENE)-UREA AND A PYRAZOLOPYRIMINE, DYEING METHODS L'OREAL (FR) 2001-08-30 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-20020178512-A1 Oxidation dyeing composition for keratinous fibres comprising a n-(2-hydrobenzene)-carbamate or a n-(2-hydroxy-benzene)-urea and a pyrazolopyrimine, dyeing methods FH, KRT18, CYB5R3 JAK2 4772/4885HTR6 2136/4885MAT2A 1607/4885

“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.