SCHEMBL2130102

SCHEMBL2130102

O=C1NCNc2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
TDP2 O95551 1/20 0.42
NSD2 O96028 1/20 0.42
ABL1 P00519 1/20 0.42
PLCG1 P19174 1/20 0.42
CES1 P23141 1/20 0.42
PAX8 Q06710 1/20 0.42
RIN1 Q13671 1/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CDC25B P30305 3/20 0.38
PTPRC P08575 2/20 0.38
S100A4 P26447 2/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38

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
SCHEMBL12210337 0.75 TDP1 (0.45) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL30387630 0.72 MEN1 (0.42) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL291842 0.72 MEN1 (0.44) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL292758 0.71 TDP1 (0.41) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL11530505 0.71 TDP1 (0.41) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL458916 0.70
SCHEMBL29888739 0.70
SCHEMBL29606493 0.69 CYP1A2 (0.50) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL29919879 0.69 CA12 (0.50) TDP1TDP2NSD2ABL1PLCG1
SCHEMBL1554278 0.69 CYP1A2 (0.50) TDP1TDP2NSD2ABL1PLCG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013207-B1 IMIDAZO[4,5-B]PYRIDIN-2-ONE COMPOUNDS AND ANALOGS THEREOF AS CANCER THERAPEUTIC COMPOUNDS CANCER REC TECH LTD (GB) 2012-04-25 EP 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 (1 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 TDP1 3246/4885TDP2 4271/4885NSD2 4338/4885

“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.