SCHEMBL7455372

SCHEMBL7455372

COc1ccnc2c(N)c(C)nn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NTRK1 P04629 7/20 0.40
PIM1 P11309 7/20 0.40
MAPT P10636 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHEK1 O14757 1/20 0.38
EGFR P00533 1/20 0.38
RET P07949 1/20 0.38
ROS1 P08922 1/20 0.38
KIT P10721 1/20 0.38
CDK2 P24941 1/20 0.38
CSNK2A1 P68400 1/20 0.38
ACVR1 Q04771 1/20 0.38
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL7456592 0.83 NTRK1 (0.35) TDP1L3MBTL1NTRK1PIM1MAPT
SCHEMBL1818321 0.82 NPC1 (0.44) TDP1L3MBTL1NTRK1PIM1MAPT
SCHEMBL7465499 0.82 NTRK1 (0.38) TDP1L3MBTL1NTRK1PIM1MAPT
Hydrochloric Acid SCHEMBL461580 0.80 NPC1 (0.42) TDP1L3MBTL1NTRK1PIM1MAPT
Hydrochloric Acid SCHEMBL8156881 0.80 NPC1 (0.42) TDP1L3MBTL1NTRK1PIM1MAPT
SCHEMBL7465690 0.76 MEN1 (0.44) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL7459734 0.76 ALDH1A1 (0.35) L3MBTL1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7455962 0.72 NTRK1 (0.37) TDP1L3MBTL1NTRK1PIM1MAPT
SCHEMBL7460533 0.71 NTRK1 (0.36) TDP1L3MBTL1NTRK1PIM1MAPT
SCHEMBL7460159 0.71 KDM4E (0.34) MAPTNPC1RAB9AKMT2ALMNA

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 TDP1 1518/4885L3MBTL1 4878/4885NTRK1 1849/4885

“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.