SCHEMBL247784

SCHEMBL247784

Nc1cc(N2CCOCC2)ncc1C1=CCSCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.38
MTOR P42345 7/20 0.38
CYP1A2 P05177 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
LGMN Q99538 1/20 0.35
MAP3K12 Q12852 1/20 0.35
ADK P55263 1/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3C2B O00750 1/20 0.35
PIK3R1 P27986 1/20 0.35
AKR1C3 P42330 1/20 0.35
PIK3CG P48736 1/20 0.35
PRKDC P78527 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35

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
SCHEMBL12505852 0.78 ATR (0.48) PIK3CAMTORCYP1A2MAPTALDH1A1
SCHEMBL14840567 0.76 PIK3CA (0.39) PIK3CAMTORCYP1A2MAPTALDH1A1
SCHEMBL14840566 0.76 MTOR (0.42) PIK3CAMTORCYP1A2MAPTALDH1A1
SCHEMBL248879 0.74 KMO (0.41) PIK3CAMTORCYP1A2MAPTALDH1A1
SCHEMBL3406466 0.74 PIK3CA (0.37) PIK3CAMTORCYP1A2MAPTALDH1A1
SCHEMBL15543262 0.72 ALDH1A1 (0.48) PIK3CAMTORCYP1A2MAPTALDH1A1
SCHEMBL29745217 0.72 ALDH1A1 (0.48) PIK3CAMTORCYP1A2MAPTALDH1A1
SCHEMBL247209 0.71 LRRK2 (0.43) PIK3CAMTORCYP2C19MAP3K12ADK
SCHEMBL247642 0.71 PIK3CA (0.38) PIK3CAMTORCYP1A2MAPTALDH1A1
SCHEMBL246131 0.69 CYP2C19 (0.59) PIK3CAMTORCYP1A2MAPTALDH1A1

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 6 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
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 PIK3CA 28/4885MTOR 314/4885CYP1A2 2019/4885

“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.