SCHEMBL968074

SCHEMBL968074

NC(=O)Nc1nc2ccc(Br)cn2n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 7/20 0.46
▸ PIK3CG P48736 11/20 0.46
▸ PIK3CA P42336 7/20 0.46
▸ PIK3CD O00329 4/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ TTK P33981 1/20 0.40

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
SCHEMBL936127 0.85 PIK3CG (0.63) AHRPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL2771935 0.80 TTK (0.62) AHRPIK3CGTTK
SCHEMBL31204112 0.78 PIK3CG (0.41) AHRPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL16791589 0.76 AHR (0.50) AHRPIK3CG
SCHEMBL16439342 0.76 AHR (0.53) AHRPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL2788075 0.75 PIK3CA (0.54) PIK3CGPIK3CATTK
Hydrochloric Acid SCHEMBL2771803 0.74 PIK3CA (0.53) PIK3CGPIK3CATTK
SCHEMBL31204279 0.73 PIK3CG (0.52) PIK3CGPIK3CAPIK3CDPIK3CBTTK
SCHEMBL936106 0.72 PIK3CG (0.83) PIK3CGPIK3CAPIK3CDPIK3CBTTK
SCHEMBL31286957 0.70 HDAC8 (0.41) PIK3CGPIK3CAPIK3CDPIK3CBTTK

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 9 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 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
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 AHR 1189/4885PIK3CG 11/4885PIK3CA 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.

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