SCHEMBL168196

SCHEMBL168196

C=C(OCC)c1cnc(F)c(-c2nc(C)nc(N)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.39
PIK3R1 P27986 9/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTOR P42345 5/20 0.38

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
SCHEMBL114524 0.82 PIK3CA (0.36) PIK3CAMTOR
SCHEMBL168187 0.76 PIK3CA (0.51) PIK3CAPIK3R1ALDH1A1SMN1; SMN2MTOR
SCHEMBL165830 0.75 PIK3CA (0.55) PIK3CAPIK3R1MTOR
SCHEMBL168750 0.73 PIK3CA (0.53) PIK3CAPIK3R1MTOR
SCHEMBL168127 0.73 PIK3CA (0.59) PIK3CAALDH1A1SMN1; SMN2MTOR
SCHEMBL2668262 0.68 PDE4A (0.37) ALDH1A1SMN1; SMN2
SCHEMBL14683910 0.67 DGAT1 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL166825 0.67 PIK3CA (0.46) PIK3CAPIK3R1MTOR
SCHEMBL31161564 0.66 DGAT1 (0.40) ALDH1A1
SCHEMBL24631023 0.66 DDR1 (0.43) 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 7 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
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 2/4885PIK3R1 9/4885ALDH1A1 4256/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885PIK3R1 9/4885ALDH1A1 4256/4885

“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.