SCHEMBL3114468

SCHEMBL3114468

CC(C)(O)COc1cc(N)nc(N2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 13/20 0.43
▸ MTOR P42345 10/20 0.43
▸ PIK3R1 P27986 9/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PIK3CD O00329 1/20 0.40
▸ PIK3C2B O00750 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ RICTOR Q6R327 1/20 0.40
▸ RPTOR Q8N122 1/20 0.40
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ MAPKAP1 Q9BPZ7 1/20 0.40
▸ MLST8 Q9BVC4 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ ATR Q13535 1/20 0.40
▸ ATRIP Q8WXE1 1/20 0.40

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
SCHEMBL3111972 0.85 KMT2A (0.42) PIK3CAPIK3R1KMT2AMEN1MAPK1
SCHEMBL3108193 0.84 ALDH1A1 (0.43) PIK3CAMTORPIK3R1KMT2AMEN1
SCHEMBL3115531 0.83 PIK3CA (0.40) PIK3CAMTORPIK3R1KMT2AMEN1
SCHEMBL3110537 0.83 PIK3CA (0.45) PIK3CAKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL11393733 0.78 PIK3CA (0.53) PIK3CAMTORPIK3R1KMT2AMEN1
SCHEMBL3117241 0.77 KMT2A (0.46) PIK3CAMTORPIK3R1KMT2ASMN1; SMN2
SCHEMBL302037 0.76 MEN1 (0.37) PIK3CAMTORPIK3R1KMT2AMEN1
SCHEMBL303766 0.76 SMN1; SMN2 (0.39) PIK3CAMTORPIK3R1KMT2AMEN1
SCHEMBL427180 0.76 SMN1; SMN2 (0.39) PIK3CAMTORPIK3R1KMT2AMEN1
SCHEMBL22488304 0.76 ATR (0.47) PIK3CAKMT2ASMN1; SMN2ATRATRIP

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-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 — — US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 — — US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 — — US disclosed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 — — EP disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 — — US disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 — — 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 (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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG PIK3CA 2810/4885MTOR 578/4885PIK3R1 940/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG PIK3CA 2810/4885MTOR 578/4885PIK3R1 940/4885

“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.

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