SCHEMBL2934348

SCHEMBL2934348

N#Cc1ccc(NC2CCCN(c3nc(-c4ccc(Cl)cc4Cl)cn4ncnc34)C2)nc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.49
JAK3 P52333 2/20 0.43
JAK2 O60674 1/20 0.43
CCR6 P51684 4/20 0.43
EGLN2 Q96KS0 2/20 0.38
CCNK O75909 3/20 0.37
CDK12 Q9NYV4 3/20 0.37
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
DPP4 P27487 3/20 0.36
TMPRSS4 Q9NRS4 1/20 0.35

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
Hydrochloric Acid SCHEMBL4281659 0.99 GSK3B (0.48) GSK3BJAK3JAK2CCR6EGLN2
SCHEMBL4287388 0.87 GSK3B (0.51) GSK3BJAK3JAK2EGLN2CDK2
SCHEMBL1919861 0.85 JAK3 (0.46) GSK3BJAK3JAK2CCR6DPP4
SCHEMBL4284030 0.82 GSK3B (0.70) GSK3B
SCHEMBL12680860 0.80 CCR6 (0.43) GSK3BJAK3JAK2CCR6EGLN2
SCHEMBL8143524 0.80 GSK3B (0.53) GSK3BJAK3JAK2CCR6CCNK
SCHEMBL2935250 0.80 JAK3 (0.42) GSK3BJAK3JAK2CCR6CCNK
SCHEMBL8037163 0.80 GSK3B (0.47) GSK3B
Hydrochloric Acid SCHEMBL4281336 0.79 GSK3B (0.46) GSK3B
SCHEMBL10270187 0.77 CCR6 (0.43) GSK3BJAK3JAK2CCR6EGLN2

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 5 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
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
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 2707/4885JAK3 269/4885JAK2 77/4885

“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.