SCHEMBL9885131

SCHEMBL9885131

Cc1ccccc1-n1c(Cn2nc([C@@H](C)O)c3c(N)ncnc32)cc2cccc(C)c2c1=O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.67
PIK3CG P48736 6/20 0.61
PIK3CB P42338 5/20 0.53
PIK3CA P42336 4/20 0.53
ABL1 P00519 1/20 0.53
SRC P12931 1/20 0.53
MTOR P42345 1/20 0.53
PRKDC P78527 1/20 0.53
PIK3R1 P27986 3/20 0.46
EPHB4 P54760 1/20 0.43

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
SCHEMBL18879420 0.94 PIK3CD (0.68) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL9884352 0.91 PIK3CD (0.68) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL18708650 0.89 PIK3CD (0.71) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL22215365 0.87 PIK3CD (0.63) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL957120 0.86 PIK3CD (0.62) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL957122 0.86 PIK3CD (0.62) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL9884150 0.86 PIK3CD (0.62) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL957556 0.86 PIK3CD (0.69) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL9884081 0.86 PIK3CG (0.69) PIK3CDPIK3CGPIK3CBPIK3CAABL1
SCHEMBL958791 0.86 PIK3CD (0.68) PIK3CDPIK3CGPIK3CBPIK3CAABL1

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-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2012-09-27 US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US 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 (4 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-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PIK3CD 4/4885PIK3CG 2/4885PIK3CB 3/4885
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PIK3CD 4/4885PIK3CG 2/4885PIK3CB 3/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CD 7/4885PIK3CG 8/4885PIK3CB 4/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CD 6/4885PIK3CG 15/4885PIK3CB 7/4885

“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.