SCHEMBL3606331

SCHEMBL3606331

Cc1cn2c(NCCC3([N+](=O)[O-])C=CC(N)=NC3N)nc(-c3ccc(Cl)cc3Cl)cc2n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30

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
SCHEMBL3607008 0.87 PIK3CA (0.33)
SCHEMBL3600674 0.86
Trifluoroacetic Acid SCHEMBL3610302 0.85
SCHEMBL3603972 0.84 EGLN2 (0.32)
SCHEMBL3606283 0.83 PIK3CA (0.32)
Trifluoroacetic Acid SCHEMBL3616490 0.80
Trifluoroacetic Acid SCHEMBL3602164 0.80 KCNJ1 (0.33)
SCHEMBL3606225 0.75
SCHEMBL3608386 0.75 PIK3CA (0.33)
SCHEMBL10270303 0.74 GSK3B (0.53) HSP90AA1HSP90AB1OPRM1OPRD1

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 HSP90AA1 1883/4885HSP90AB1 1880/4885OPRM1 4358/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT HSP90AA1 2002/4885HSP90AB1 1883/4885OPRM1 4207/4885

“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.