SCHEMBL4988154

SCHEMBL4988154

COc1ccc(-n2nc(C(=O)N3CCOCC3)nc2-c2ccc(C)cn2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.47
PIK3CD O00329 1/20 0.47
PIK3R2 O00459 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
PIK3R5 Q8WYR1 1/20 0.47
PIK3R3 Q92569 1/20 0.47
MTOR P42345 1/20 0.40
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 1/20 0.38
GABRA5 P31644 2/20 0.38
PDE5A O76074 1/20 0.37
PDE6A P16499 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 2/20 0.37
TNF P01375 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL4987250 0.90 BRD4 (0.42) PIK3CAPIK3CDPIK3R2PIK3CBPIK3CG
SCHEMBL5782412 0.89 PIK3CA (0.51) PIK3CAPIK3CDPIK3R2PIK3CBPIK3CG
SCHEMBL5781022 0.87 HPGD (0.38) PIK3CAPIK3CDPIK3R2PIK3CBPIK3CG
SCHEMBL5784079 0.87 PIK3CD (0.37) PIK3CAPIK3CDPIK3R2PIK3CBPIK3CG
SCHEMBL4986955 0.84 SCN9A (0.37) PIK3CAPIK3CDPIK3R2PIK3CBPIK3CG
SCHEMBL4987515 0.83 SMN1; SMN2 (0.40) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4989843 0.82 LMNA (0.39) KDM4EALDH1A1HSD17B10LMNAMEN1
SCHEMBL4988466 0.82 GABRA1 (0.42) PIK3CAGABRA5
SCHEMBL4992350 0.81 TSPO (0.35) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL5782323 0.80 HRH3 (0.41) PIK3CAPIK3CDPIK3R2PIK3CBPIK3CG

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 4 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
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 PIK3CA 3305/4885PIK3CD 3266/4885PIK3R2 2214/4885

“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.