SCHEMBL4725834

SCHEMBL4725834

CC(C)C1CN(c2nc(N3CCOCC3)nc3ccsc23)CCN1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.64
PIK3R1 P27986 11/20 0.64
KDM4E B2RXH2 2/20 0.48
MTOR P42345 6/20 0.42
PIK3CD O00329 2/20 0.41
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
PIK3C2B O00750 1/20 0.40
CCNE2 O96020 1/20 0.40
PRKACA P17612 1/20 0.40
PRKACG P22612 1/20 0.40
PRKACB P22694 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
KDR P35968 1/20 0.40
PRKCI P41743 1/20 0.38
PIKFYVE Q9Y2I7 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL4775856 0.82 PRKCI (0.39) PIK3CAPIK3R1KDM4EMTORPRKCI
SCHEMBL9678323 0.80 PIK3CA (0.85) PIK3CAPIK3R1KDM4EMTORPIK3CD
SCHEMBL4779719 0.77 NMT1 (0.37) PIK3CAPIK3R1KDM4EMTORPRKCI
SCHEMBL18894266 0.74 PIK3CA (0.82) PIK3CAPIK3R1KDM4EMTORPIK3CD
SCHEMBL18894265 0.69 PIK3CA (0.70) PIK3CAPIK3R1KDM4EMTORPIK3CD
SCHEMBL15542887 0.69 PRKCQ (0.43) KDM4EPIK3CBALDH1A1HPGD
SCHEMBL12110480 0.69 PIK3CA (0.72) PIK3CAPIK3R1KDM4EMTORPIK3CD
SCHEMBL4781933 0.67 HTR2C (0.42) PIK3CAKDM4EPIK3CB
SCHEMBL13298350 0.66 PIK3CA (0.72) PIK3CAPIK3R1KDM4EMTORPIK3CD
SCHEMBL189594 0.66 PIK3CA (0.72) PIK3CAPIK3R1KDM4EMTORPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
WO-2008005368-A2 PIPERAZINES AS P2X7 ANTAGONISTS ABBOTT LABORATORIES (US) 2008-01-10 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-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 PIK3CA 1066/4885PIK3R1 1384/4885KDM4E 3365/4885

“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.