SCHEMBL3606228

SCHEMBL3606228

CN(C)Cc1cn2c(NCCc3cc(N)nc(N)c3[N+](=O)[O-])nc(Cl)cc2n1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 2/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL3600676 0.87 MAPT (0.31) SMN1; SMN2MAPTRECQLBLMCDK5
SCHEMBL3612603 0.83 MAPT (0.39) ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL3601733 0.83
Trifluoroacetic Acid SCHEMBL3610303 0.81 TP53 (0.34) MAPTRECQLBLMCDK5CDK5R1
SCHEMBL3607730 0.80 MAPT (0.31) MAPTRECQLBLMCDK5CDK5R1
SCHEMBL3598017 0.78 MAPT (0.31) MAPTRECQLBLMCDK5CDK5R1
SCHEMBL3607709 0.74 MAPT (0.32) SMN1; SMN2MAPTCDK5CDK5R1LMNA
SCHEMBL3606332 0.73 TP53 (0.38) MAPTRECQLBLMCDK5CDK5R1
SCHEMBL3609398 0.71 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL3606225 0.71

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 ALDH1A1 2118/4885SMN1; SMN2 1461/4885MAPT 4250/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT ALDH1A1 2072/4885SMN1; SMN2 1085/4885MAPT 3689/4885

“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.