SCHEMBL2935929

SCHEMBL2935929

Nc1nc(NCCN[N+]23C=C(c4ccc(Cl)cc4Cl)N=CC2=NC=N3)ccc1C(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.33
GSK3A P49840 3/20 0.33
CDK1 P06493 2/20 0.33
CCNB2 O95067 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
KCNH2 Q12809 1/20 0.30
CFTR P13569 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
SCHEMBL2932832 0.93 SCN10A (0.33)
Hydrochloric Acid SCHEMBL4287767 0.92 SCN10A (0.32)
SCHEMBL2974024 0.89 GSK3B (0.33) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2936764 0.87
SCHEMBL2926625 0.82 CNR1 (0.33) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL2932471 0.75 IL1B (0.33) GSK3B
Hydrochloric Acid SCHEMBL4281341 0.74 IL1B (0.32) GSK3B
SCHEMBL4282889 0.73 GSK3B (0.45) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL4555435 0.68 GSK3B (0.39) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL12680862 0.68 GSK3B (0.36) GSK3BGSK3ACDK1CCNB2CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2229392-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE AS GSK3BETA INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-22 EP disclosed
US-20090258877-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE BAYER HEALTHCARE AG (DE) 2009-10-15 US disclosed
WO-2009074259-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 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 (1 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-20090258877-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE THPO, IL5, TPMT GSK3B 2707/4885GSK3A 2851/4885CDK1 1240/4885

“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.