SCHEMBL5200162

SCHEMBL5200162

CC(C)n1nc(-c2cccs2)c(N)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.51
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA2A P29274 2/20 0.38
DHFR P00374 1/20 0.38
ADORA1 P30542 3/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 3/20 0.37
CYP1A2 P05177 2/20 0.37

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
SCHEMBL9388547 0.79 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL10103716 0.72 RET (0.46) RETMEN1KMT2AALDH1A1KDM4E
SCHEMBL2049950 0.67 ALDH1A1 (0.39) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL20473939 0.67 MEN1 (0.41) RETMEN1KMT2AALDH1A1KDM4E
SCHEMBL10959073 0.66 ERCC1 (0.44) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2049849 0.66 ALDH1A1 (0.46) RETMEN1KMT2AALDH1A1KDM4E
SCHEMBL13509080 0.66 ALDH1A1 (0.43) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL1803222 0.66 SRC (0.58) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2052719 0.62 ALDH1A1 (0.41) RETMEN1KMT2AALDH1A1KDM4E
SCHEMBL5156927 0.62 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EHPGD

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 RET 1573/4885MEN1 4593/4885KMT2A 1914/4885

“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.