SCHEMBL881093

SCHEMBL881093

CNc1ncc(-c2cc(N3CCOCC3)nc(Nc3cnc4ccc(OC)cc4c3)n2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.55
MTOR P42345 2/20 0.48
SMG1 Q96Q15 1/20 0.48
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
AIMP2 Q13155 1/20 0.44
ZAP70 P43403 1/20 0.43
AKT1 P31749 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
CSF1R P07333 2/20 0.41
IGF1R P08069 1/20 0.41

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
SCHEMBL881139 0.77 AIMP2 (0.51) PIK3CAMTORAIMP2ZAP70CSF1R
SCHEMBL881134 0.76 PIK3CA (0.47) PIK3CAAIMP2ZAP70CSF1RIGF1R
SCHEMBL881132 0.76 PIK3CA (0.70) PIK3CAMTORAKT1IGF1R
SCHEMBL10327922 0.75 PIK3CA (0.74) PIK3CAMTOR
SCHEMBL10327775 0.72 PIK3CA (0.75) PIK3CAMTOR
SCHEMBL881114 0.71 PIK3R1 (0.46) PIK3CAMTORSMG1ZAP70AKT1
SCHEMBL857404 0.71 PIK3CA (0.52) PIK3CAMTORAKT1MAPT
SCHEMBL855909 0.70 PIK3CA (0.41) PIK3CAAIMP2ZAP70
SCHEMBL10327802 0.70 PIK3CA (0.51) PIK3CAMTORMEN1KMT2A
SCHEMBL10327885 0.68 PIK3CA (0.74) PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 US disclosed
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 US disclosed
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 US disclosed
EP-2118087-B1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-03-28 EP disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
WO-2008098058-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2008-08-14 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-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KA, PI4KB, PI4K2A PIK3CA 5/4885MTOR 64/4885SMG1 537/4885

“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.