SCHEMBL41829

SCHEMBL41829

COc1ccc(Cl)c(-c2ccc3nc(N)nn3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.49
HSP90AB1 P08238 2/20 0.49
PIK3CG P48736 8/20 0.43
PIK3CD O00329 7/20 0.43
PIK3CA P42336 6/20 0.43
PIK3CB P42338 2/20 0.43
JAK1 P23458 1/20 0.42
PDE2A O00408 3/20 0.38
PDE10A Q9Y233 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL41710 0.82 HSP90AA1 (0.49) HSP90AA1HSP90AB1PIK3CGPIK3CDPIK3CA
SCHEMBL936706 0.81 PIK3CG (0.58) PIK3CGPIK3CDPIK3CAPIK3CBJAK1
SCHEMBL42483 0.81 SRC (0.43) PIK3CGPIK3CDPIK3CAPIK3CBPDE2A
SCHEMBL12909566 0.78 PIK3CG (0.62) PIK3CGPIK3CDPIK3CAPIK3CBJAK1
SCHEMBL558172 0.78 JAK1 (0.48) PIK3CGPIK3CDPIK3CAPIK3CBJAK1
Hydrochloric Acid SCHEMBL938131 0.77 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBJAK1
SCHEMBL3711935 0.74 PIK3CG (0.63) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL936292 0.74 PIK3CD (0.61) HSP90AA1HSP90AB1PIK3CGPIK3CDPIK3CA
SCHEMBL935790 0.72 PIK3CD (0.60) PIK3CGPIK3CDPIK3CAPIK3CBPDE10A
SCHEMBL1337556 0.72 HSP90AA1 (0.53) HSP90AA1HSP90AB1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123271-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2013-05-16 US disclosed
US-20130123271-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2013-05-16 US disclosed
US-20130123271-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2013-05-16 US disclosed
EP-2585439-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION Fovea Pharmaceuticals (FR) 2013-05-01 EP disclosed
US-20120041195-A1 Heterocyclic compounds FOVEA PHARMACEUTICALS 2012-02-16 US disclosed
US-20120041195-A1 Heterocyclic compounds FOVEA PHARMACEUTICALS 2012-02-16 US disclosed
US-20120041195-A1 Heterocyclic compounds FOVEA PHARMACEUTICALS 2012-02-16 US disclosed
WO-2011161159-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2011-12-29 WO disclosed
WO-2011161159-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2011-12-29 WO disclosed
EP-2396324-A1 Ý1, 2, 4¨TRIAZOLO Ý1, 5 -A¨PYRIDINES AS KINASE INHIBITORS Fovea Pharmaceuticals (FR) 2011-12-21 EP disclosed
WO-2010092041-A1 [1, 2, 4] TRIAZOLO [1, 5 -A] PYRIDINES AS KINASE INHIBITORS FOVEA PHARMACEUTICALS SA (FR) 2010-08-19 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 (2 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-20130123271-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THERAPEUTIC APPLICATION CAMK2D, CAMK2A, CAMK2B HSP90AA1 1206/4885HSP90AB1 716/4885PIK3CG 1299/4885
US-20120041195-A1 Heterocyclic compounds MAP3K1, MAP3K5, MAP3K2 HSP90AA1 2068/4885HSP90AB1 1643/4885PIK3CG 535/4885

“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.