SCHEMBL3609313

SCHEMBL3609313

COc1ccc(-c2cc3nc(C)cn3c(NCCC3([N+](=O)[O-])C=CC(N)=NC3N)n2)cc1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SYK P43405 4/20 0.33
MAP4K4 O95819 2/20 0.33
MAP4K2 Q12851 2/20 0.33
PKN2 Q16513 2/20 0.33
AURKB Q96GD4 2/20 0.33
SLK Q9H2G2 2/20 0.33
AURKA O14965 1/20 0.33
JAK2 O60674 1/20 0.33
INSR P06213 1/20 0.33
LCK P06239 1/20 0.33
LYN P07948 1/20 0.33
RET P07949 1/20 0.33
ROS1 P08922 1/20 0.33
SRC P12931 1/20 0.33
FER P16591 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
SCHEMBL3600674 0.82
SCHEMBL3606331 0.81 HSP90AA1 (0.33)
SCHEMBL10270014 0.74 MAPT (0.40) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL3609315 0.74 MAPT (0.40) MEN1KMT2AMAPTRAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL3602164 0.64 KCNJ1 (0.33) MAPTSMN1; SMN2MAPK1ALDH1A1LMNA
SCHEMBL10270544 0.62 SYK (0.51) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL10270308 0.61 GSK3B (0.40) CDK1GSK3AGSK3B
SCHEMBL10269943 0.60 ALDH1A1 (0.37) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL3515595 0.55 BRD4 (0.58) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL12963717 0.54 MAPT (0.52) MEN1KMT2AMAPTSMN1; SMN2MAPK1

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
US-9051323-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-8273752-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-25 US disclosed
EP-2137188-B1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Pharma AG (DE) 2012-06-06 EP disclosed
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 US disclosed
EP-2137188-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-12-30 EP disclosed
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 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-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES TYMP, DPYD, THPO MEN1 2724/4885KMT2A 1332/4885MAPT 4250/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT MEN1 2426/4885KMT2A 1396/4885MAPT 3689/4885

“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.