SCHEMBL10270149

SCHEMBL10270149

NCCNc1nc(-c2ccc(Cl)cc2Cl)cc2nccn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.43
EGLN2 Q96KS0 1/20 0.41
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
FERMT2 Q96AC1 1/20 0.38
GSK3B P49841 1/20 0.37
LMNA P02545 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
MAP4K2 Q12851 1/20 0.36
DPP8 Q6V1X1 3/20 0.36
DPP9 Q86TI2 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 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
Trifluoroacetic Acid SCHEMBL3605360 0.90 DPP4 (0.38) DPP4EGLN2MAP4K2DPP8DPP9
SCHEMBL3608864 0.89 EGLN2 (0.41) DPP4EGLN2HSP90AA1HSP90AB1GSK3B
SCHEMBL3603979 0.89 ALPL (0.43) DPP4EGLN2HSP90AA1HSP90AB1GSK3B
SCHEMBL3609534 0.85 MAP4K2 (0.40) DPP4EGLN2GSK3BMAP4K2MAPT
SCHEMBL10269944 0.83 GSK3B (0.40) DPP4EGLN2HSP90AA1HSP90AB1GSK3B
SCHEMBL10270752 0.82 HSP90AA1 (0.39) DPP4EGLN2HSP90AA1HSP90AB1GSK3B
SCHEMBL10270527 0.81 DPP4 (0.43) DPP4EGLN2HSP90AA1HSP90AB1LMNA
SCHEMBL10270555 0.81 GSK3B (0.42) DPP4EGLN2GSK3BPIK3CAPIK3CB
SCHEMBL3610032 0.80 GSK3B (0.43) DPP4EGLN2HSP90AA1HSP90AB1GSK3B
SCHEMBL10270549 0.80 GSK3B (0.47) DPP4EGLN2HSP90AA1HSP90AB1GSK3B

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 10 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-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-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 DPP4 436/4885EGLN2 1710/4885HSP90AA1 1883/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT DPP4 497/4885EGLN2 2683/4885HSP90AA1 2002/4885

“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.