SCHEMBL168705

SCHEMBL168705

Cc1nc(-c2cc(Br)cnc2Nc2cccc3c2cnn3C2CCCCO2)c2ncn(C3CCCCO3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.42
YTHDC1 Q96MU7 1/20 0.39
PIK3CA P42336 1/20 0.38
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATR Q13535 6/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL165036 0.91 YTHDC1 (0.43) FLT3YTHDC1PIK3CACYP2C19NPC1
SCHEMBL168592 0.85 PIK3CA (0.46) FLT3YTHDC1PIK3CANPC1RAB9A
SCHEMBL3099983 0.84 PIK3CA (0.46) FLT3YTHDC1PIK3CANPC1RAB9A
SCHEMBL116537 0.79 FLT3 (0.49) FLT3YTHDC1PIK3CA
SCHEMBL115879 0.77 CYP2C19 (0.45) FLT3YTHDC1CYP2C19NPC1RAB9A
SCHEMBL116075 0.71 PIK3CA (0.51) FLT3YTHDC1PIK3CA
SCHEMBL115603 0.70 PIK3CA (0.49) FLT3YTHDC1PIK3CACYP2C19NPC1
SCHEMBL113367 0.70 PIK3CA (0.44) FLT3PIK3CA
SCHEMBL164330 0.70 FLT3 (0.43) FLT3YTHDC1PIK3CA
SCHEMBL116967 0.69 PIK3CA (0.53) FLT3PIK3CA

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 FLT3 923/4885YTHDC1 4746/4885PIK3CA 2/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD FLT3 923/4885YTHDC1 4746/4885PIK3CA 2/4885

“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.