SCHEMBL41710

SCHEMBL41710

COc1ccc(Cl)c(-c2ccn3nc(N)nc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.49
HSP90AB1 P08238 2/20 0.49
TNIK Q9UKE5 1/20 0.44
PIK3CG P48736 8/20 0.43
PIK3CD O00329 7/20 0.41
TDP2 O95551 1/20 0.40
JAK1 P23458 2/20 0.40
PAK4 O96013 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
CSNK1A1 P48729 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
PIP4K2C Q8TBX8 1/20 0.39
CSNK1G1 Q9HCP0 1/20 0.39
PDE2A O00408 4/20 0.38
PDE10A Q9Y233 4/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
NPC1 O15118 1/20 0.37
DHFR P00374 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
SCHEMBL41829 0.82 HSP90AA1 (0.49) HSP90AA1HSP90AB1PIK3CGPIK3CDJAK1
SCHEMBL41638 0.81 PIK3CG (0.43) PIK3CGPIK3CDJAK1PAK4PIK3CA
SCHEMBL20641333 0.79 PIK3CG (0.44) TNIKPIK3CGPIK3CDJAK1PAK4
SCHEMBL25440120 0.75 PIK3CG (0.43) TNIKPIK3CGPIK3CDTDP2JAK1
SCHEMBL29497997 0.75 PIK3CG (0.43) TNIKPIK3CGPIK3CDTDP2JAK1
SCHEMBL25439788 0.74 PIK3CG (0.41) TNIKPIK3CGPIK3CDTDP2JAK1
SCHEMBL29498030 0.74 PIK3CG (0.41) TNIKPIK3CGPIK3CDTDP2JAK1
SCHEMBL25439987 0.73 PIK3CG (0.40) TNIKPIK3CGPIK3CDTDP2JAK1
SCHEMBL29498010 0.73 PIK3CG (0.40) TNIKPIK3CGPIK3CDTDP2JAK1
SCHEMBL25440028 0.72 PIK3CG (0.46) PIK3CGPIK3CDTDP2JAK1PAK4

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-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
WO-2011161159-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION FOVEA PHARMACEUTICALS (FR) 2011-12-29 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 716/4885TNIK 449/4885
US-20120041195-A1 Heterocyclic compounds MAP3K1, MAP3K5, MAP3K2 HSP90AA1 2068/4885HSP90AB1 1643/4885TNIK 136/4885

“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.