SCHEMBL3608864

SCHEMBL3608864

SCCNc1nc(-c2ccc(Cl)cc2Cl)cc2nccn12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.41
DPP4 P27487 3/20 0.39
GSK3B P49841 1/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3CG P48736 2/20 0.37
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAP4K2 Q12851 1/20 0.34
ALPL P05186 2/20 0.34
NPC1 O15118 1/20 0.34
ALPG P10696 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
SCHEMBL10270149 0.89 DPP4 (0.43) EGLN2DPP4GSK3BPIK3CAPIK3CB
SCHEMBL3603979 0.89 ALPL (0.43) EGLN2DPP4GSK3BPIK3CAPIK3CB
SCHEMBL3609534 0.85 MAP4K2 (0.40) EGLN2DPP4GSK3BMAPTMAP4K2
SCHEMBL10269944 0.83 GSK3B (0.40) EGLN2DPP4GSK3BPIK3CAPIK3CB
SCHEMBL10270555 0.81 GSK3B (0.42) EGLN2DPP4GSK3BPIK3CAPIK3CB
SCHEMBL10270752 0.80 HSP90AA1 (0.39) EGLN2DPP4GSK3BHSP90AA1HSP90AB1
Trifluoroacetic Acid SCHEMBL3605360 0.80 DPP4 (0.38) EGLN2DPP4MAP4K2ALPLNPC1
SCHEMBL3610032 0.80 GSK3B (0.43) EGLN2DPP4GSK3BHSP90AA1HSP90AB1
SCHEMBL10270549 0.80 GSK3B (0.47) EGLN2DPP4GSK3BPIK3CAPIK3CB
SCHEMBL3606982 0.79 METAP1 (0.40) EGLN2GSK3BLMNASMN1; SMN2NPC1

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 EGLN2 1710/4885DPP4 436/4885GSK3B 3269/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT EGLN2 2683/4885DPP4 497/4885GSK3B 3009/4885

“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.