Sugi Predict

Sugi Predict / Compounds / SCHEMBL12343602

SCHEMBL12343602

SCHEMBL12343602

COc1ccccc1-c1n[nH]c2ncc(-c3ccc(-c4ccn[nH]4)c(C(=O)N(C)C)c3)cc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 8/20 0.54
▸ ABL1 P00519 3/20 0.47
▸ CYP3A4 P08684 2/20 0.38
▸ AAK1 Q2M2I8 2/20 0.38
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ PIK3C3 Q8NEB9 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ CAMKK2 Q96RR4 2/20 0.36
▸ ATR Q13535 1/20 0.36
▸ ATRIP Q8WXE1 1/20 0.36
▸ CHUK O15111 1/20 0.35
▸ INSR P06213 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL12343600 0.87 MAP4K1 (0.57) MAP4K1ABL1CYP3A4AAK1CAMKK2
SCHEMBL12342946 0.86 MAP4K1 (0.59) MAP4K1ABL1CYP3A4AAK1PIK3C3
SCHEMBL3488654 0.85 MAP4K1 (0.73) MAP4K1ABL1CYP3A4AAK1CAMKK2
SCHEMBL3489349 0.84 MAP4K1 (0.59) MAP4K1ABL1CYP3A4AAK1CAMKK2
SCHEMBL12343173 0.83 MAP4K1 (0.60) MAP4K1ABL1CYP3A4AAK1PIK3C3
SCHEMBL3489122 0.83 MAP4K1 (0.56) MAP4K1ABL1CYP3A4AAK1PIK3C3
SCHEMBL3488848 0.83 MAP4K1 (0.56) MAP4K1ABL1CYP3A4AAK1PIK3C3
SCHEMBL12343191 0.82 ABL1 (0.52) MAP4K1ABL1CYP3A4AAK1PIK3C3
SCHEMBL12343291 0.82 ABL1 (0.59) MAP4K1ABL1CYP3A4AAK1CAMKK2
SCHEMBL12343141 0.81 ABL1 (0.53) MAP4K1ABL1AAK1LRRK2CAMKK2

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 8 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-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-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-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 MAP4K1 19/4885ABL1 141/4885CYP3A4 3559/4885
US-20100036118-A1 Fused Ring Heterocycle Kinase Modulators MAP3K20, TTK, MAP3K19 MAP4K1 19/4885ABL1 141/4885CYP3A4 3559/4885

“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.