SCHEMBL3615413

SCHEMBL3615413

Nc1cc(C2CCCN(c3nc(-c4ccc(Cl)cc4Cl)cc4nccn34)C2)c([N+](=O)[O-])c(N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.36
MAPT P10636 5/20 0.36
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTPN11 Q06124 1/20 0.35
ATR Q13535 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
TNK2 Q07912 2/20 0.32
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
GSK3B P49841 2/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
PROKR1 Q8TCW9 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL12680781 0.78 GSK3B (0.41) LMNAMAPTHTTNPSR1GAA
SCHEMBL10270317 0.74 ATR (0.48) LMNAMAPTPTPN11ATRPIK3CA
SCHEMBL3615411 0.74 PTPN11 (0.37) LMNAMAPTHTTNPSR1GAA
SCHEMBL3608387 0.73 PIK3CA (0.34) CYP2C19PIK3CAPIK3CBPIK3CGGSK3B
Hydrochloric Acid SCHEMBL4280024 0.72 MAPT (0.33) LMNAMAPTHTTNPSR1GAA
SCHEMBL3607009 0.72 GSK3B (0.37) LMNAMAPTHTTNPSR1GAA
SCHEMBL10270017 0.72 GSK3B (0.45) LMNAMAPTHTTPTPN11ATR
SCHEMBL12680788 0.71 GSK3B (0.56) PTPN11GSK3B
SCHEMBL14079318 0.71 GSK3B (0.37) PTPN11ATRPIK3CAPIK3CBPIK3CG
SCHEMBL12680787 0.71 GSK3B (0.57) PTPN11ATRCYP3A4PIK3CAGSK3B

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 LMNA 4505/4885MAPT 4250/4885HTT 2789/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT LMNA 3887/4885MAPT 3689/4885HTT 2688/4885

“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.