SCHEMBL10270187

SCHEMBL10270187

N#Cc1ccc(NC2CCCN(c3nc(-c4ccc(Cl)cc4Cl)cc4nccn34)C2)nc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 8/20 0.43
GSK3B P49841 4/20 0.41
JAK3 P52333 2/20 0.40
JAK2 O60674 1/20 0.40
PTPN11 Q06124 1/20 0.36
DPP4 P27487 3/20 0.36
TMPRSS4 Q9NRS4 1/20 0.35
EGLN2 Q96KS0 1/20 0.34

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
SCHEMBL12680802 0.96 CCR6 (0.45) CCR6GSK3BJAK3JAK2PTPN11
Trifluoroacetic Acid SCHEMBL3613437 0.94 CCR6 (0.40) CCR6GSK3BJAK3JAK2DPP4
SCHEMBL12680860 0.87 CCR6 (0.43) CCR6GSK3BJAK3JAK2DPP4
SCHEMBL3598237 0.81 GSK3B (0.43) CCR6GSK3BDPP4
SCHEMBL14079318 0.81 GSK3B (0.37) GSK3BPTPN11DPP4
SCHEMBL12680787 0.81 GSK3B (0.57) GSK3BPTPN11DPP4
SCHEMBL1919861 0.80 JAK3 (0.46) CCR6GSK3BJAK3JAK2DPP4
SCHEMBL12680781 0.79 GSK3B (0.41) GSK3BPTPN11
SCHEMBL10270017 0.78 GSK3B (0.45) GSK3BPTPN11DPP4EGLN2
SCHEMBL2934348 0.77 GSK3B (0.49) CCR6GSK3BJAK3JAK2DPP4

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 8 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
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
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 US 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 CCR6 683/4885GSK3B 3269/4885JAK3 248/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT CCR6 819/4885GSK3B 3009/4885JAK3 186/4885

“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.