SCHEMBL10270741

SCHEMBL10270741

Nc1nc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cc3nc(C(F)(F)F)cn23)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.49
GSK3A P49840 3/20 0.49
CDK1 P06493 2/20 0.48
CCNB2 O95067 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32

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
SCHEMBL10270303 0.88 GSK3B (0.53) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL10270519 0.86 GSK3B (0.40) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL10270024 0.85 GSK3B (0.50) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL14079311 0.84 GSK3B (0.38) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL10270002 0.84 GSK3B (0.56) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL10270545 0.81 GSK3B (0.48) GSK3BGSK3ACDK1CCNB2CCNB1
Trifluoroacetic Acid SCHEMBL3605348 0.81 GSK3B (0.38) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL10270551 0.81 GSK3B (0.53) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL10270747 0.80 GSK3B (0.53) GSK3BGSK3ACDK1CCNB2CCNB1
SCHEMBL12680808 0.77 GSK3B (0.38) GSK3BGSK3ACDK1CCNB2CCNB1

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 GSK3B 3269/4885GSK3A 3185/4885CDK1 1050/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT GSK3B 3009/4885GSK3A 2953/4885CDK1 818/4885

“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.