SCHEMBL10196960

SCHEMBL10196960

Bc1cnc(N)nc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
PIK3CA P42336 9/20 0.40
MTOR P42345 7/20 0.40
PIK3CB P42338 4/20 0.40
PIK3CD O00329 1/20 0.40
PIK3C2B O00750 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CG P48736 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
DHFR P00374 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RPTOR Q8N122 1/20 0.31
MLST8 Q9BVC4 1/20 0.31
ULK1 O75385 1/20 0.31

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
SCHEMBL335775 0.79 KDM4E (0.44) KDM4EPIK3CAMTORPIK3CBPIK3CD
SCHEMBL30107632 0.79 KDM4E (0.44) KDM4EPIK3CAMTORPIK3CBPIK3CD
SCHEMBL6936291 0.75 KDM4E (0.55) KDM4EPIK3CAMTORPIK3CBPIK3CD
SCHEMBL10202044 0.72 KDM4E (0.45) KDM4EPIK3CAMTORPIK3CBPIK3CD
SCHEMBL2611051 0.72 KDM4E (0.45) KDM4EPIK3CAMTORPIK3CBPIK3CD
SCHEMBL29951044 0.71 KDM4E (0.48) KDM4EPIK3CAMTORPIK3CBPIK3CD
SCHEMBL15871697 0.71 KDM4E (0.55) KDM4EDHFR
SCHEMBL4892324 0.71 KDM4E (0.48) KDM4EPIK3CAMTORPIK3CBPIK3CD
SCHEMBL27705089 0.71 ADORA2A (0.47) KDM4EPIK3CAMTORPIK3CBPIK3CD
SCHEMBL4888975 0.71 KDM4E (0.44) KDM4EPIK3CAMTORPIK3CBPIK3CD

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 3 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
EP-2336132-A1 MORPHOLINOPURINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2011-06-22 EP disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 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 (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 KDM4E 3148/4885PIK3CA 5/4885MTOR 64/4885

“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.