SCHEMBL3490188

SCHEMBL3490188

COc1ccccc1-c1n[nH]c2ncc(-c3cc(C)c(N)c(C(=O)N4CCN(CCN(C)C)CC4)c3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.42
MTOR P42345 2/20 0.42
MAP4K1 Q92918 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CBX7 O95931 3/20 0.39
ABL1 P00519 2/20 0.39
BCR P11274 1/20 0.39
KIT P10721 1/20 0.37
DRD3 P35462 1/20 0.37
SMYD2 Q9NRG4 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP1 P09874 1/20 0.35
PDE10A Q9Y233 1/20 0.35
AKT1 P31749 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
SCHEMBL12344582 0.92 PIK3CA (0.41) PIK3CAMTORMAP4K1ALDH1A1ABL1
SCHEMBL12343167 0.91 PIK3CA (0.44) PIK3CAMTORMAP4K1ALDH1A1ABL1
SCHEMBL13042029 0.90 MAP4K1 (0.51) PIK3CAMTORMAP4K1ALDH1A1CBX7
SCHEMBL12343359 0.87 MELK (0.44) PIK3CAMTORMAP4K1ALDH1A1
SCHEMBL12343350 0.86 MAP4K4 (0.44) PIK3CAMTORMAP4K1
SCHEMBL12343381 0.85 PIK3CA (0.42) PIK3CAMTORABL1BCRPARP1
SCHEMBL12343203 0.85 LMNA (0.40) PIK3CAMTORMAP4K1ALDH1A1ABL1
SCHEMBL13600040 0.84 DRD2 (0.42) PIK3CAMTORMAP4K1ALDH1A1ABL1
SCHEMBL3375525 0.84 FYN (0.44) PIK3CAMTORMAP4K1ABL1KMT2A
SCHEMBL12343068 0.84 ABL1 (0.50) PIK3CAMTORMAP4K1ALDH1A1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268994-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8268994-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8268994-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators SGX PHARMACEUTICALS, INC. 2010-02-11 US disclosed
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators SGX PHARMACEUTICALS, INC. 2010-02-11 US disclosed
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators SGX PHARMACEUTICALS, INC. 2010-02-11 US disclosed
EP-2134179-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-12-23 EP disclosed
US-7626021-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
US-7626021-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
US-7626021-B2 Fused ring heterocycle kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
WO-2008124850-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
WO-2008124850-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 US disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 US disclosed
US-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-12-13 US 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-20070287711-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, TTK, MAP3K19 PIK3CA 227/4885MTOR 150/4885MAP4K1 19/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 PIK3CA 227/4885MTOR 150/4885MAP4K1 19/4885

“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.