SCHEMBL5889244

SCHEMBL5889244

Cc1c(N)ncnc1N1CCN(CCN2CCOCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
TLR7 Q9NYK1 2/20 0.49
PIK3CA P42336 2/20 0.49
MTOR P42345 2/20 0.49
JAK3 P52333 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RPS6KB1 P23443 3/20 0.41
TSHR P16473 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NR2F2 P24468 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FLT3 P36888 2/20 0.39
AKT1 P31749 2/20 0.39
LRRK2 Q5S007 2/20 0.39
STK4 Q13043 2/20 0.39

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
SCHEMBL17623135 0.88 KDM4E (0.70) KDM4EGAAPIK3CAMTORJAK3
SCHEMBL4389982 0.75 ALDH1A1 (0.57) KDM4EGAAJAK3MEN1KMT2A
SCHEMBL19241974 0.72 KDM4E (0.54) KDM4EGAAPIK3CAMTORJAK3
Hydrochloric Acid SCHEMBL31737655 0.71 HTR2C (0.53) KDM4EGAAMEN1KMT2ATSHR
SCHEMBL6800730 0.71 KDR (0.53) KDM4EGAATLR7PIK3CAMTOR
SCHEMBL19241997 0.70 PIK3CA (0.52) KDM4EGAATLR7PIK3CAMTOR
SCHEMBL26647044 0.69 KDM4E (0.70) KDM4EGAAPIK3CAJAK3MEN1
SCHEMBL9158913 0.69 KDM4E (0.82) KDM4EGAAPIK3CAMTORJAK3
SCHEMBL26769922 0.69 KDM4E (0.64) KDM4EGAAPIK3CAJAK3MEN1
SCHEMBL10568602 0.69 KDM4E (0.47) KDM4EGAAPIK3CAMTORJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307200-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS Wyeth (US) 2003-05-07 EP claimed
WO-2002002563-A2 SUBSTITUTED-TRIAZOLOPYRIMIDINES AS ANTICANCER AGENTS WYETH (US) 2002-01-10 WO claimed
US-7115597-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-10-03 US disclosed
US-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 US disclosed
EP-1341540-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2003-09-10 EP disclosed
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 US disclosed
WO-2002045652-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2002-06-13 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 (2 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-20020137755-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDM4E 2200/4885GAA 1166/4885TLR7 1151/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDM4E 2200/4885GAA 1166/4885TLR7 1151/4885

“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.