SCHEMBL113520

SCHEMBL113520

Cc1nc(N)nc(-c2cccnc2F)n1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.57
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MTOR P42345 6/20 0.53
PIK3CD O00329 4/20 0.51
PIK3CB P42338 4/20 0.51
PIK3CG P48736 4/20 0.51
PIK3R1 P27986 1/20 0.51

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
SCHEMBL1704624 0.75 KDM4E (0.76) PIK3CAALDH1A1SMN1; SMN2MTORPIK3CD
SCHEMBL168187 0.74 PIK3CA (0.51) PIK3CAALDH1A1SMN1; SMN2MTORPIK3CD
SCHEMBL168795 0.74 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL113996 0.73 DHODH (0.39) PIK3CAALDH1A1MTOR
SCHEMBL114590 0.73 PIK3CA (0.53) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL114358 0.73 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL29890083 0.72 NAPRT (0.43) SMN1; SMN2MTOR
SCHEMBL16432358 0.72 NAPRT (0.43) SMN1; SMN2MTOR
SCHEMBL168127 0.72 PIK3CA (0.59) PIK3CAALDH1A1SMN1; SMN2MTORPIK3CD
SCHEMBL4036138 0.71 SMN1; SMN2 (0.65) PIK3CAALDH1A1SMN1; SMN2MTORPIK3CD

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
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 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 (2 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885ALDH1A1 4256/4885SMN1; SMN2 1834/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885ALDH1A1 4256/4885SMN1; SMN2 1834/4885

“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.