SCHEMBL4471243

SCHEMBL4471243

Cc1cc(=O)[nH]c(NC(N)=Nc2ccccc2C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SIGMAR1 Q99720 5/20 0.51
GRIN2D O15399 4/20 0.51
GRIN3B O60391 4/20 0.51
GRIN1 Q05586 4/20 0.51
GRIN2A Q12879 4/20 0.51
GRIN2B Q13224 4/20 0.51
GRIN2C Q14957 4/20 0.51
GRIN3A Q8TCU5 4/20 0.51
PABPC1 P11940 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
EBP Q15125 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
POLB P06746 4/20 0.51
USP2 O75604 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.48

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
SCHEMBL4468905 0.85 POLB (0.53) MEN1KMT2ASIGMAR1GRIN2DGRIN3B
SCHEMBL512500 0.73 GAA (0.64) MEN1KMT2AALOX15TSHRPOLB
SCHEMBL4471232 0.72 KMT2A (0.67) MEN1KMT2APOLBUSP2TDP1
SCHEMBL14218483 0.72 ALDH1A1 (0.80) MEN1KMT2ATSHRPOLBUSP2
SCHEMBL9879486 0.70 KMT2A (1.00) MEN1KMT2ATSHRPOLBUSP2
SCHEMBL9227594 0.69 SIGMAR1 (0.70) MEN1KMT2ASIGMAR1GRIN2DGRIN3B
Ditolylguanidine SCHEMBL80339 0.69 SIGMAR1 (1.00) MEN1KMT2ASIGMAR1GRIN2DGRIN3B
Ditolylguanidine SCHEMBL29364709 0.69 SIGMAR1 (1.00) MEN1KMT2ASIGMAR1GRIN2DGRIN3B
Ditolylguanidine SCHEMBL3388414 0.69 SIGMAR1 (1.00) MEN1KMT2ASIGMAR1GRIN2DGRIN3B
Ditolylguanidine SCHEMBL158674 0.69 SIGMAR1 (1.00) MEN1KMT2ASIGMAR1GRIN2DGRIN3B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504502-B2 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION (US) 2009-03-17 US disclosed
US-20080171877-A1 GUANIDINOPYRIMIDINONE COMPOUNDS AND PHASE CHANGE INKS CONTAINING SAME XEROX CORPORATION (US) 2008-07-17 US disclosed
US-7371858-B2 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION (US) 2008-05-13 US disclosed
US-20060149063-A1 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION 2006-07-06 US disclosed
US-6811595-B2 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION 2004-11-02 US disclosed
US-20040060474-A1 Guanidinopyrimidinone compounds and phase change inks containing same XEROX CORPORATION 2004-04-01 US 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 (3 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-20060149063-A1 Guanidinopyrimidinone compounds and phase change inks containing same RPP30, INO80, CDK20 MEN1 4220/4885KMT2A 2305/4885SIGMAR1 40/4885
US-20040060474-A1 Guanidinopyrimidinone compounds and phase change inks containing same CCNI, INO80, CCNY MEN1 4310/4885KMT2A 1779/4885SIGMAR1 55/4885
US-20080171877-A1 GUANIDINOPYRIMIDINONE COMPOUNDS AND PHASE CHANGE INKS CONTAINING SAME INO80, RPP30, RO60 MEN1 4021/4885KMT2A 1968/4885SIGMAR1 48/4885

“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.