SCHEMBL1958477

SCHEMBL1958477

O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1ccn(Cc2ccccc2Cl)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.64
PIK3CB P42338 7/20 0.64
PIM1 P11309 7/20 0.64
GSK3B P49841 7/20 0.64
PIK3CG P48736 7/20 0.64
PIK3CA P42336 6/20 0.64
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 4/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
FTO Q9C0B1 1/20 0.40
ROCK2 O75116 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
SCHEMBL1959727 0.89 PIK3CD (0.64) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL2215452 0.87 PIK3CD (0.68) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL2214448 0.86 PIK3CD (0.67) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL2212954 0.83 PIK3CD (0.71) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL12573473 0.82 PIK3CD (0.42) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL12543780 0.81 PIK3CD (0.59) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL461727 0.80 PIK3CD (0.68) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL1120284 0.80 PIK3CD (0.72) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL463324 0.79 PIK3CD (0.70) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL459117 0.79 PIK3CD (1.00) PIK3CDPIK3CBPIM1GSK3BPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507223-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASES Glaxo Group Limited (GB) 2012-10-10 EP claimed
US-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2012-09-27 US claimed
WO-2011067365-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASES GLAXO GROUP LIMITED (GB) 2011-06-09 WO claimed
EP-2507223-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASES Glaxo Group Limited (GB) 2012-10-10 EP disclosed
US-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2012-09-27 US disclosed
US-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2012-09-27 US disclosed
US-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2012-09-27 US disclosed
WO-2011067365-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASES GLAXO GROUP LIMITED (GB) 2011-06-09 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-20120245171-A1 BENZPYRAZOLE DERIVATIVES AS INHIBITORS OF PI3 KINASES PIK3C3, PIK3CA, PIK3CD PIK3CD 3/4885PIK3CB 5/4885PIM1 32/4885

“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.