SCHEMBL4379221

SCHEMBL4379221

Cn1cnc2c(=O)[nH]c(=S)[nH]c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GDA Q9Y2T3 1/20 0.39
NSD2 O96028 1/20 0.39
CASP6 P55212 1/20 0.39
CYP3A4 P08684 2/20 0.38
PMP22 Q01453 2/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
BLM P54132 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.33
PDE4A P27815 1/20 0.33
ADORA2A P29274 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL4560085 0.81 GDA (0.53) KMT2AMEN1GDACYP3A4PMP22
SCHEMBL10998 0.81 GDA (0.53) KMT2AMEN1GDACYP3A4PMP22
SCHEMBL5431750 0.79 GAA (0.48) KMT2AMEN1ALDH1A1PDE4AADORA2A
SCHEMBL5436105 0.78 ALDH1A1 (0.50) KMT2AMEN1NSD2CASP6ALDH1A1
SCHEMBL5428518 0.78 GAA (0.40) KMT2AMEN1NSD2CASP6ALDH1A1
SCHEMBL13728723 0.77 GAA (0.59) KMT2AMEN1RAB9AALDH1A1TSHR
SCHEMBL3141045 0.76 KMT2A (0.43) KMT2AMEN1RAB9AALDH1A1LMNA
SCHEMBL15290224 0.75 ALDH1A1 (0.56) KMT2AMEN1GDACYP3A4PMP22
SCHEMBL7329915 0.73 KDM4E (0.42) KMT2AMEN1NSD2CASP6RAB9A
SCHEMBL4090390 0.72 CYP1A2 (0.46) KMT2AMEN1CYP3A4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790252-B2 2-fluorinated riboses and arabinoses and methods of use and synthesis CORNELL UNIVERSITY (US) 2017-10-17 US disclosed
US-8481697-B2 Nucleic acid base pairs DAKO DENMARK A/S (DK) 2013-07-09 US disclosed
US-20120108535-A1 2-FLUORINATED RIBOSES AND ARABINOSES AND METHODS OF USE AND SYNTHESIS CORNELL UNIVERSITY (US) 2012-05-03 US disclosed
US-20100105030-A1 NUCLEIC ACID BASE PAIRS DAKO DENMARK A/S (DK) 2010-04-29 US disclosed
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 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-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) TRPV1, TRPV2, TRPV4 KMT2A 4422/4885MEN1 4674/4885GDA 3791/4885
US-20120108535-A1 2-FLUORINATED RIBOSES AND ARABINOSES AND METHODS OF USE AND SYNTHESIS SLC2A2, SLC29A2, DERA KMT2A 2015/4885MEN1 2120/4885GDA 307/4885
US-20100105030-A1 NUCLEIC ACID BASE PAIRS NSUN3, NCL, NSUN2 KMT2A 1811/4885MEN1 1256/4885GDA 407/4885

“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.