SCHEMBL855909

SCHEMBL855909

CNc1ncc(-c2cc(N3CCOCC3)nc(Nc3ccc4c(c3)OCC(=O)N4)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.41
AIMP2 Q13155 1/20 0.41
ZAP70 P43403 1/20 0.40
SYK P43405 6/20 0.40
MAP3K12 Q12852 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
JAK1 P23458 2/20 0.39
JAK3 P52333 2/20 0.39
KIF11 P52732 1/20 0.38
AURKA O14965 2/20 0.37
AURKB Q96GD4 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
TNIK Q9UKE5 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
SCHEMBL855244 0.92 PIK3CA (0.49) PIK3CAMAP3K12
SCHEMBL881134 0.78 PIK3CA (0.47) PIK3CAAIMP2ZAP70MAP3K12JAK1
SCHEMBL881139 0.77 AIMP2 (0.51) PIK3CAAIMP2ZAP70MAP3K12JAK1
SCHEMBL10327989 0.76 PIK3CA (0.65) PIK3CAMAP3K12
SCHEMBL10328105 0.73 PIK3CA (0.59) PIK3CA
SCHEMBL881114 0.71 PIK3R1 (0.46) PIK3CAZAP70SYKMAP3K12
SCHEMBL881093 0.70 PIK3CA (0.55) PIK3CAAIMP2ZAP70
SCHEMBL881112 0.70 PIK3CA (0.54) PIK3CAAIMP2ZAP70MAP3K12AURKA
SCHEMBL881133 0.70 PIK3CA (0.54) PIK3CAMAP3K12
SCHEMBL10327655 0.69 PIK3CA (0.65) PIK3CAMAP3K12

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 9 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
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 5/4885AIMP2 3839/4885ZAP70 574/4885

“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.