SCHEMBL5200192

SCHEMBL5200192

CC(C)n1nc(CN2CCOCC2)c(N)c1N

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 6/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 2/20 0.35
LRRK2 Q5S007 2/20 0.35
CXCR4 P61073 1/20 0.35
CYP2A13 Q16696 1/20 0.33
PTPN1 P18031 1/20 0.33
HSP90AA1 P07900 1/20 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
SCHEMBL13184392 0.68 CYP2A13 (0.40) HRH3KMT2ACXCR4CYP2A13
SCHEMBL28767868 0.68 POLB (0.37) HRH3POLBKMT2A
SCHEMBL22849925 0.66 MAPT (0.48) HRH3MAPTKMT2AKCNH2LRRK2
SCHEMBL21961418 0.66 SMN1; SMN2 (0.42) SMN1; SMN2HRH3MAPTPOLBKMT2A
SCHEMBL22057200 0.65 LRRK2 (0.38) SMN1; SMN2HRH3MAPTPOLBKCNH2
SCHEMBL17076899 0.64 HRH3 (0.44) HRH3MAPTPOLB
SCHEMBL15650979 0.64 HRH3 (0.44) SMN1; SMN2HRH3MAPTPOLBKCNH2
SCHEMBL28739179 0.63 POLB (0.43) SMN1; SMN2HRH3MAPTPOLBKCNH2
SCHEMBL3177451 0.63 SMN1; SMN2 (0.46) SMN1; SMN2CXCR4PTPN1
SCHEMBL10848052 0.62 MAPT (0.72) SMN1; SMN2HRH3MAPTKMT2AHSP90AA1

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
EP-1817379-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS The Procter and Gamble Company (US) 2007-08-15 EP disclosed
US-20070033742-A1 Pyrazole azomethines and colorants containing these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-15 US disclosed
WO-2006060564-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2006-06-08 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-20070033742-A1 Pyrazole azomethines and colorants containing these compounds KRT18, NOX5, TUBB3 SMN1; SMN2 4744/4885HRH3 2343/4885MAPT 857/4885

“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.