SCHEMBL936706

SCHEMBL936706

COc1ccc(-c2ccc3nc(N)nn3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.58
PIK3CD O00329 5/20 0.58
PIK3CA P42336 4/20 0.58
JAK1 P23458 1/20 0.54
ALDH1A3 P47895 3/20 0.51
PIK3CB P42338 2/20 0.50
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
SCN5A Q14524 1/20 0.43
DYRK1A Q13627 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL558172 0.87 JAK1 (0.48) PIK3CGPIK3CDPIK3CAJAK1ALDH1A3
SCHEMBL12909566 0.84 PIK3CG (0.62) PIK3CGPIK3CDPIK3CAJAK1ALDH1A3
SCHEMBL3711935 0.83 PIK3CG (0.63) PIK3CGPIK3CDPIK3CAPIK3CB
Hydrochloric Acid SCHEMBL938131 0.83 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAJAK1ALDH1A3
SCHEMBL1933137 0.82 PIK3CG (0.52) PIK3CGPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL41829 0.81 HSP90AA1 (0.49) PIK3CGPIK3CDPIK3CAJAK1PIK3CB
SCHEMBL935790 0.81 PIK3CD (0.60) PIK3CGPIK3CDPIK3CAALDH1A3PIK3CB
SCHEMBL614711 0.80 RET (0.61) PIK3CGPIK3CDPIK3CAALDH1A3PIK3CB
SCHEMBL12909567 0.80 PIK3CG (0.49) PIK3CGPIK3CDPIK3CAPIK3CBKDM4E
SCHEMBL12909565 0.79 PIK3CG (0.50) PIK3CGPIK3CDPIK3CAALDH1A3PIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222674-B1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2015-11-11 EP claimed
US-8865699-B2 Amino triazoles as PI3K inhibitors CELLZOME LTD. (GB) 2014-10-21 US claimed
US-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2011-01-27 US claimed
EP-2222674-A1 AMINO TRIAZOLES AS PI3K INHIBITORS Cellzome Limited (GB) 2010-09-01 EP claimed
WO-2009068482-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2009-06-04 WO claimed
EP-2222674-B1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2015-11-11 EP disclosed
EP-2222674-B1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2015-11-11 EP disclosed
US-8865699-B2 Amino triazoles as PI3K inhibitors CELLZOME LTD. (GB) 2014-10-21 US disclosed
US-8865699-B2 Amino triazoles as PI3K inhibitors CELLZOME LTD. (GB) 2014-10-21 US disclosed
US-8865699-B2 Amino triazoles as PI3K inhibitors CELLZOME LTD. (GB) 2014-10-21 US disclosed
US-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2011-01-27 US disclosed
US-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2011-01-27 US disclosed
US-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2011-01-27 US disclosed
EP-2222674-A1 AMINO TRIAZOLES AS PI3K INHIBITORS Cellzome Limited (GB) 2010-09-01 EP disclosed
WO-2009068482-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2009-06-04 WO disclosed
WO-2009068482-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2009-06-04 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-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS PIK3C3, PIK3R3, PIK3R5 PIK3CG 11/4885PIK3CD 6/4885PIK3CA 9/4885

“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.