SCHEMBL247630

SCHEMBL247630

Cc1c(N2CCNCC2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.42
LMNA P02545 4/20 0.42
CYP3A4 P08684 3/20 0.42
USP2 O75604 2/20 0.42
MAPK1 P28482 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
HIF1A Q16665 1/20 0.42
PIK3CA P42336 4/20 0.42
PIK3CG P48736 1/20 0.42
PTK2 Q05397 2/20 0.42
MTOR P42345 1/20 0.40
PIK3CD O00329 1/20 0.40
TP53 P04637 3/20 0.39
BRAF P15056 2/20 0.37
NTRK1 P04629 1/20 0.37
RAF1 P04049 1/20 0.36
MLNR O43193 1/20 0.36

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
SCHEMBL14849132 0.93 LMNA (0.43) CYP1A2LMNACYP3A4USP2MAPK1
SCHEMBL248966 0.90 CYP1A2 (0.42) CYP1A2LMNACYP3A4USP2MAPK1
SCHEMBL248754 0.90 PIK3CA (0.47) CYP1A2LMNACYP3A4USP2MAPK1
SCHEMBL247566 0.87 PIK3CA (0.46) CYP1A2LMNACYP3A4USP2MAPK1
SCHEMBL247874 0.87 PIK3CA (0.47) CYP1A2LMNACYP3A4USP2MAPK1
SCHEMBL245627 0.85 PIK3CD (0.58) CYP1A2LMNACYP3A4USP2MAPK1
SCHEMBL247991 0.78 PIK3CD (0.61) PIK3CAPIK3CGMTORPIK3CDBRAF
SCHEMBL248008 0.78 PIK3CD (0.57) PIK3CAPIK3CGPIK3CDBRAF
SCHEMBL248889 0.77 PIK3CD (0.45) PIK3CAPIK3CGPTK2MTORPIK3CD
SCHEMBL248782 0.77 PIK3CA (0.49) PIK3CAPIK3CDJAK2JAK1JAK3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588471-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO 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-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 CYP1A2 2019/4885LMNA 2505/4885CYP3A4 2773/4885

“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.