SCHEMBL632430

SCHEMBL632430

O=C(c1cn2cc(-c3cccc(O)c3)nc(N3CCOCC3)c2n1)N1CCN(C=S(=O)=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.59
PIK3R1 P27986 15/20 0.59
MTOR P42345 2/20 0.45
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PIK3C2A O00443 1/20 0.42
PIK3C2B O00750 1/20 0.42
PRKDC P78527 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.42

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
SCHEMBL5559584 0.84 PIK3CA (0.71) PIK3CAPIK3R1
SCHEMBL15603154 0.83 PIK3CA (0.64) PIK3CAPIK3R1MTORNPC1ALDH1A1
SCHEMBL632118 0.82 PIK3CA (0.72) PIK3CAPIK3R1MTORHDAC6
SCHEMBL893481 0.80 PIK3CA (0.70) PIK3CAPIK3R1MTORHDAC6
SCHEMBL893302 0.78 PIK3CA (0.75) PIK3CAPIK3R1MTORHDAC6PIK3C2A
SCHEMBL632091 0.77 PIK3CA (0.69) PIK3CAPIK3R1MTORALDH1A1HDAC6
SCHEMBL632753 0.76 PIK3CA (0.72) PIK3CAPIK3R1MTORHDAC6PIK3C2A
SCHEMBL893488 0.75 PIK3CA (1.00) PIK3CAPIK3R1HDAC6PIK3C2APIK3C2B
SCHEMBL631666 0.75 PIK3R1 (0.62) PIK3CAPIK3R1MTOR
SCHEMBL15603041 0.73 PIK3R1 (0.85) PIK3CAPIK3R1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778935-B2 Imidazopyrazines for use as kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-07-15 US disclosed
WO-2012052745-A1 COMBINATIONS OF PI3K INHIBITORS WITH A SECOND ANTI -TUMOR AGENT CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-04-26 WO disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 US disclosed
EP-2419429-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2012-02-22 EP disclosed
WO-2010119264-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCÓLOGICAS (CNIO) (ES) 2010-10-21 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-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA PIK3CA 2/4885PIK3R1 6/4885MTOR 1/4885

“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.