SCHEMBL7460533

SCHEMBL7460533

COc1nn2c(C)ccnc2c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.36
PIM1 P11309 6/20 0.36
PTGS2 P35354 1/20 0.36
HTR6 P50406 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 4/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NOS1 P29475 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 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
SCHEMBL7455962 0.85 NTRK1 (0.37) NTRK1PIM1TDP1L3MBTL1MAPT
SCHEMBL7456592 0.85 NTRK1 (0.35) NTRK1PIM1TDP1L3MBTL1MAPT
SCHEMBL7450810 0.73 TSHR (0.46) PTGS2HTR6MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL8800842 0.72 TSHR (0.45) PTGS2HTR6MAPTMEN1KMT2A
SCHEMBL7455372 0.71 TDP1 (0.41) NTRK1PIM1TDP1L3MBTL1MAPT
SCHEMBL1839328 0.71 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL1839866 0.70 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7453195 0.68 SMPD3 (0.43) HTR6CDK2
SCHEMBL13500698 0.67 NPC1 (0.41) NTRK1PIM1PTGS2HTR6TDP1
SCHEMBL1842471 0.67 HTR2A (0.33) SMN1; SMN2ALDH1A1

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 NTRK1 1849/4885PIM1 4411/4885PTGS2 1679/4885

“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.