SCHEMBL3609315

SCHEMBL3609315

COc1ccc(-c2cc3nc(C)cn3c(NCCc3cc(N)nc(N)c3[N+](=O)[O-])n2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
SYK P43405 4/20 0.36
MAP4K4 O95819 2/20 0.36
MAP4K2 Q12851 2/20 0.36
PKN2 Q16513 2/20 0.36
AURKB Q96GD4 2/20 0.36
SLK Q9H2G2 2/20 0.36
AURKA O14965 1/20 0.36
JAK2 O60674 1/20 0.36
INSR P06213 1/20 0.36
LCK P06239 1/20 0.36
LYN P07948 1/20 0.36
RET P07949 1/20 0.36
ROS1 P08922 1/20 0.36
SRC P12931 1/20 0.36
FER P16591 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
SCHEMBL3607709 0.86 MAPT (0.32) MAPTSMN1; SMN2KMT2AMEN1CDK5
SCHEMBL3609398 0.86 ALDH1A1 (0.37) MAPTSMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL3614205 0.85 TLR2 (0.34) MAPTKMT2AMEN1JAK2MAPK1
SCHEMBL10270014 0.82 MAPT (0.40) MAPTSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL3600676 0.81 MAPT (0.31) MAPTSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL3606332 0.79 TP53 (0.38) MAPTCDK1GSK3AGSK3BCDK5
Trifluoroacetic Acid SCHEMBL3616492 0.74 NUDT1 (0.33) MAPTKMT2ACDK2CDK5
SCHEMBL3609313 0.74 MEN1 (0.35) MAPTSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL10270544 0.69 SYK (0.51) MAPTSMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL3601733 0.68

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 MAPT 4250/4885SMN1; SMN2 1461/4885KMT2A 1332/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT MAPT 3689/4885SMN1; SMN2 1085/4885KMT2A 1396/4885

“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.