SCHEMBL12466909

SCHEMBL12466909

N=C(N)Nc1ccc(CNC(=O)N2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.74
MEN1 O00255 4/20 0.74
FAAH O00519 4/20 0.63
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 2/20 0.54
GRIN2B Q13224 2/20 0.54
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2C Q14957 1/20 0.54
GRIN3A Q8TCU5 1/20 0.54
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
GLA P06280 1/20 0.53
DUSP3 P51452 1/20 0.53
PTPN5 P54829 1/20 0.53
PTPN11 Q06124 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52

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 SCHEMBL27943775 0.94 KMT2A (0.65) KMT2AMEN1FAAHSMN1; SMN2NPSR1
SCHEMBL12466797 0.87 MEN1 (0.77) KMT2AMEN1FAAHSMN1; SMN2NPSR1
SCHEMBL12685846 0.84 MEN1 (0.85) KMT2AMEN1FAAHNPSR1GRIN2B
SCHEMBL12685780 0.84 MEN1 (0.85) KMT2AMEN1FAAHNPSR1GRIN2B
Hydrochloric Acid SCHEMBL12466326 0.83 MEN1 (0.83) KMT2AMEN1FAAHNPSR1GRIN2B
SCHEMBL12466583 0.82 MEN1 (0.85) KMT2AMEN1FAAHSMN1; SMN2NPSR1
SCHEMBL7424872 0.81 TPSAB1 (0.53) KMT2AMEN1GLATPSAB1
SCHEMBL12685865 0.79 MEN1 (0.79) KMT2AMEN1FAAHSMN1; SMN2NPSR1
SCHEMBL3600315 0.78 FAAH (1.00) KMT2AMEN1FAAHSMN1; SMN2GRIN2B
SCHEMBL7248523 0.78 FAAH (0.82) KMT2AMEN1FAAHSMN1; SMN2NPSR1

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-20130324556-A1 Protease Activated Receptor 2 (PAR2) Antagonists PROXIMAGEN LTD. (GB) 2013-12-05 US claimed
EP-2668157-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS Proximagen Limited (GB) 2013-12-04 EP claimed
WO-2012101453-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS PROXIMAGEN LTD. (GB) 2012-08-02 WO claimed
US-20130324556-A1 Protease Activated Receptor 2 (PAR2) Antagonists PROXIMAGEN LTD. (GB) 2013-12-05 US disclosed
EP-2668157-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS Proximagen Limited (GB) 2013-12-04 EP disclosed
WO-2012101453-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS PROXIMAGEN LTD. (GB) 2012-08-02 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 (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-20130324556-A1 Protease Activated Receptor 2 (PAR2) Antagonists F2RL1, F2R, F2RL3 KMT2A 2337/4885MEN1 1376/4885FAAH 725/4885

“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.