SCHEMBL12466291

SCHEMBL12466291

N=C(N)c1ccc(CNC(=O)N2CCC(Cc3ccncc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TPSAB1 Q15661 9/20 0.57
F2 P00734 8/20 0.57
TPSD1 Q9BZJ3 6/20 0.57
TPSG1 Q9NRR2 6/20 0.57
PRSS1 P07477 5/20 0.57
PRSS2 P07478 4/20 0.57
PRSS3 P35030 4/20 0.57
PLG P00747 2/20 0.47
GRIN2B Q13224 1/20 0.47
TBK1 Q9UHD2 2/20 0.46
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44

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
SCHEMBL12466797 0.89 MEN1 (0.77) MEN1KMT2ATPSAB1F2TPSD1
SCHEMBL12685793 0.86 MEN1 (0.65) MEN1KMT2ATPSAB1TPSD1TPSG1
SCHEMBL12466643 0.86 MEN1 (0.65) MEN1KMT2ATPSAB1TPSD1TPSG1
SCHEMBL12466583 0.77 MEN1 (0.85) MEN1KMT2AGRIN2B
SCHEMBL12466909 0.76 KMT2A (0.74) MEN1KMT2ATPSAB1GRIN2B
SCHEMBL12685846 0.75 MEN1 (0.85) MEN1KMT2ATPSAB1TPSD1TPSG1
SCHEMBL12685780 0.75 MEN1 (0.85) MEN1KMT2ATPSAB1GRIN2B
Hydrochloric Acid SCHEMBL12466326 0.74 MEN1 (0.83) MEN1KMT2ATPSAB1TPSD1TPSG1
SCHEMBL12466321 0.74 MEN1 (0.67) MEN1KMT2ATPSAB1TPSD1TPSG1
SCHEMBL12466499 0.74 KMT2A (0.67) MEN1KMT2ATPSAB1TPSD1TPSG1

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 MEN1 1376/4885KMT2A 2337/4885TPSAB1 169/4885

“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.