SCHEMBL2473153

SCHEMBL2473153

Cn1nc(-c2nc(-c3cnc4[nH]ccc4c3)no2)c2c1CC(C)(C)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.41
PIK3CA P42336 6/20 0.41
PIK3CD O00329 4/20 0.41
KDR P35968 4/20 0.41
PIK3CB P42338 3/20 0.41
PIK3CG P48736 3/20 0.41
ABL1 P00519 2/20 0.41
EGFR P00533 2/20 0.41
HCK P08631 2/20 0.41
SRC P12931 2/20 0.41
EPHB4 P54760 2/20 0.41
PRKDC P78527 2/20 0.41
SYK P43405 2/20 0.35
BRD4 O60885 1/20 0.35
MLST8 Q9BVC4 6/20 0.35
RICTOR Q6R327 5/20 0.35
MAPKAP1 Q9BPZ7 5/20 0.35
CDK8 P49336 4/20 0.35
AXL P30530 1/20 0.35
MAP3K12 Q12852 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
SCHEMBL2471650 0.88 MTOR (0.35) MTORPIK3CAPIK3CDKDRPIK3CB
SCHEMBL2473850 0.80 MAOB (0.46) KDRCDK8MAP4K4MARK3CLK2
SCHEMBL2473567 0.78
SCHEMBL2834076 0.76 S1PR1 (0.35) SYK
SCHEMBL2473415 0.76 CREBBP (0.44) MTORPIK3CAPRKDCBRD4ATR
SCHEMBL2472405 0.76 RARA (0.40)
SCHEMBL2473284 0.76 S1PR1 (0.40)
SCHEMBL2470344 0.75 CA9 (0.48)
SCHEMBL2469840 0.75 S1PR1 (0.46) MTORPIK3CABRD4LRRK2ATR
SCHEMBL2456152 0.73 S1PR1 (0.33) MTORPIK3CA

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
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 MTOR 2736/4885PIK3CA 633/4885PIK3CD 400/4885

“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.