SCHEMBL4986955

SCHEMBL4986955

COc1ccc(-n2nc(C(=O)N3CCN(C)C(=O)C3)nc2-c2ccc(C)cn2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
GRM5 P41594 2/20 0.36
TACR3 P29371 1/20 0.35
BRD4 O60885 8/20 0.35
P2RX7 Q99572 3/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3R2 O00459 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3R5 Q8WYR1 1/20 0.33
PIK3R3 Q92569 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
USP2 O75604 1/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL5784293 0.89 BRD4 (0.42) SCN9ABRD4LMNAMAPTUSP2
SCHEMBL4987250 0.88 BRD4 (0.42) BRD4PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL5782348 0.86 BRD4 (0.44) BRD4IRAK4
SCHEMBL2918407 0.85 CCKAR (0.41) SCN9AGRM5TACR3BRD4P2RX7
SCHEMBL4988154 0.84 PIK3CA (0.47) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL5784079 0.82 PIK3CD (0.37) BRD4PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL5781022 0.82 HPGD (0.38) SCN9ABRD4PIK3CDPIK3R2PIK3CA
SCHEMBL4987515 0.80 SMN1; SMN2 (0.40) P2RX7CHRNB2CHRNA4IRAK4
SCHEMBL5782323 0.79 HRH3 (0.41) GRM5BRD4P2RX7PIK3CDPIK3R2
SCHEMBL4989843 0.79 LMNA (0.39) IRAK4LMNA

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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R SCN9A 3275/4885GRM5 610/4885TACR3 2953/4885

“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.