SCHEMBL3606332

SCHEMBL3606332

Cc1cn2c(NCCc3cc(N)nc(N)c3[N+](=O)[O-])nc(-c3ccc(Cl)cc3Cl)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
GSK3B P49841 5/20 0.34
GSK3A P49840 3/20 0.34
LMNA P02545 1/20 0.32
CDK1 P06493 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
DPP4 P27487 3/20 0.32
DPP8 Q6V1X1 3/20 0.32
DPP9 Q86TI2 2/20 0.32
S1PR4 O95977 2/20 0.32
PSD A5PKW4 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32

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
SCHEMBL3607009 0.86 GSK3B (0.37) TP53HPGDHSP90AA1HSP90AB1GSK3B
SCHEMBL3600676 0.85 MAPT (0.31) MAPTRECQLBLMCDK5CDK5R1
SCHEMBL3607709 0.83 MAPT (0.32) LMNAMAPTCDK5CDK5R1
Trifluoroacetic Acid SCHEMBL3610303 0.83 TP53 (0.34) TP53HPGDGSK3BOPRM1OPRD1
SCHEMBL3603974 0.82 EGLN2 (0.35) TP53HPGDHSP90AA1HSP90AB1GSK3B
SCHEMBL3606285 0.82 GSK3B (0.36) TP53HPGDHSP90AA1HSP90AB1GSK3B
SCHEMBL10270303 0.82 GSK3B (0.53) HSP90AA1HSP90AB1GSK3BGSK3ALMNA
SCHEMBL3609398 0.81 ALDH1A1 (0.37) HPGDLMNAMAPTNPC1
SCHEMBL3614205 0.81 TLR2 (0.34) LMNAMAPTPKM
SCHEMBL3609315 0.79 MAPT (0.40) TP53HPGDGSK3BGSK3ALMNA

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 TP53 205/4885HPGD 533/4885HSP90AA1 1883/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT TP53 275/4885HPGD 907/4885HSP90AA1 2002/4885

“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.