SCHEMBL113996

SCHEMBL113996

Cc1nc(N)nc(-c2cccnc2F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
PLAU P00749 1/20 0.37
PIK3CA P42336 1/20 0.36
TGFBR1 P36897 2/20 0.36
ADORA2A P29274 4/20 0.36
MTOR P42345 1/20 0.36
ADORA1 P30542 2/20 0.35
DHFR P00374 1/20 0.35
PDE2A O00408 2/20 0.34
PDE10A Q9Y233 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
NUDT1 P36639 1/20 0.34

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
SCHEMBL114358 0.78 PIK3CA (0.51) DHODHPLAUPIK3CATGFBR1PDE2A
SCHEMBL5746381 0.75 DHFR (0.59) ADORA2ADHFRALDH1A1CYP1A2HPGD
SCHEMBL113520 0.73 PIK3CA (0.57) PIK3CAMTORALDH1A1
SCHEMBL29889857 0.67 CDK5 (0.53) ADORA2AALDH1A1
SCHEMBL21908761 0.67 CDK5 (0.53) ADORA2AALDH1A1
SCHEMBL31631861 0.66 TLR8 (0.48) PIK3CADHFRNOS1ALDH1A1CYP1A2
SCHEMBL28151062 0.66 PDE10A (0.36) DHODHPIK3CAADORA2AADORA1DHFR
SCHEMBL22117225 0.66 BACE1 (0.40) PLAUALDH1A1CYP1A2HSD17B10MPL
SCHEMBL114590 0.66 PIK3CA (0.53) PIK3CAMTOR
SCHEMBL29889802 0.65 PDE2A (0.46) DHODHPDE2APDE10A

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 DHODH 3183/4885MKNK1 78/4885MKNK2 111/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD DHODH 3183/4885MKNK1 78/4885MKNK2 111/4885

“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.