SCHEMBL10270153

SCHEMBL10270153

N#Cc1ccc(SCCN)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
RECQL P46063 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 2/20 0.36
ALB P02768 1/20 0.36
ADRA2C P18825 1/20 0.36

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 SCHEMBL3613175 0.86 DPP4 (0.42) KIF11KDM4EALDH1A1HTTALB
SCHEMBL1662231 0.76 PIK3CD (0.43) KDM4EALDH1A1MEN1HPGDRECQL
SCHEMBL7020420 0.75 KDM4E (0.35) KDM4EALDH1A1MEN1HPGDRECQL
SCHEMBL8622591 0.75 ALDH1A1 (0.44) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL2949487 0.75 ALDH1A1 (0.39) KDM4EALDH1A1MEN1HPGDRECQL
SCHEMBL3615388 0.74 ALB (0.40) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL19859048 0.73 MAOB (0.58) KDM4EALDH1A1MEN1HPGDRECQL
SCHEMBL31038332 0.73 MAOB (0.58) KDM4EALDH1A1MEN1HPGDRECQL
SCHEMBL13173488 0.73 NOS3 (0.42) KIF11KDM4EALDH1A1HPGDCYP1A2
SCHEMBL13173479 0.73 HRH1 (0.38) KDM4EALDH1A1MEN1KMT2AL3MBTL1

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 KIF11 4508/4885KDM4E 2988/4885ALDH1A1 2118/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT KIF11 4109/4885KDM4E 3000/4885ALDH1A1 2072/4885

“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.