SCHEMBL42483

SCHEMBL42483

Nc1nc2ccc(-c3cc(O)ccc3Cl)cn2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.43
PIK3CG P48736 9/20 0.43
PIK3CD O00329 8/20 0.43
PIK3CA P42336 6/20 0.43
PIK3CB P42338 2/20 0.43
NUDT1 P36639 3/20 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
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
NPC1 O15118 1/20 0.35
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL41638 0.81 PIK3CG (0.43) SRCPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL24549083 0.81 NAMPT (0.36) SRCPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL41829 0.81 HSP90AA1 (0.49) PIK3CGPIK3CDPIK3CAPIK3CBNPC1
SCHEMBL938836 0.76 PIK3CG (0.48) SRCPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL14936950 0.76 PIK3CG (0.36) SRCPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL41292 0.76 LRRK2 (0.49) SRCPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL4325240 0.76 PIK3CG (0.42) PIK3CGPIK3CDPIK3CAPIK3CBNUDT1
SCHEMBL41482 0.75 LRRK2 (0.46) SRCPIK3CGPIK3CDPIK3CAPIK3CB
Bromide SCHEMBL1260233 0.74 PIK3CG (0.41) PIK3CGPIK3CDPIK3CAPIK3CBNUDT1
SCHEMBL612697 0.74 SRC (0.56) SRCCA12CA1CA2CA7

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

“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.