SCHEMBL41638

SCHEMBL41638

Nc1nc2cc(-c3cc(O)ccc3Cl)ccn2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.43
PIK3CD O00329 10/20 0.43
SRC P12931 1/20 0.43
PAK4 O96013 1/20 0.38
JAK1 P23458 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
CSNK1A1 P48729 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
PIP4K2C Q8TBX8 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
NUDT1 P36639 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL42483 0.81 SRC (0.43) PIK3CGPIK3CDSRCPIK3CAPIK3CB
SCHEMBL41710 0.81 HSP90AA1 (0.49) PIK3CGPIK3CDPAK4JAK1PIK3CA
SCHEMBL20641321 0.77 PIK3CG (0.44) PIK3CGPIK3CDPAK4JAK1PIK3CA
SCHEMBL14936722 0.76 SRC (0.35) SRCPDE2APDE10A
Bromide SCHEMBL23356680 0.76 PIK3CG (0.43) PIK3CGPIK3CDPAK4JAK1PIK3CA
SCHEMBL25440028 0.75 PIK3CG (0.46) PIK3CGPIK3CDPAK4JAK1PIK3CA
Lithium SCHEMBL30676256 0.74 PIK3CG (0.45) PIK3CGPIK3CDPAK4JAK1PIK3CA
SCHEMBL25440312 0.74 PIK3CG (0.41) PIK3CGPIK3CDPAK4JAK1PIK3CA
SCHEMBL29498026 0.74 PIK3CG (0.41) PIK3CGPIK3CDPAK4JAK1PIK3CA
SCHEMBL25440033 0.74 PIK3CG (0.47) PIK3CGPIK3CDPAK4JAK1PIK3CA

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 PIK3CG 1299/4885PIK3CD 763/4885SRC 401/4885
US-20120041195-A1 Heterocyclic compounds MAP3K1, MAP3K5, MAP3K2 PIK3CG 535/4885PIK3CD 369/4885SRC 1204/4885

“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.