Sugi Predict

Sugi Predict / Compounds / SCHEMBL4790100

SCHEMBL4790100

SCHEMBL4790100

Fc1ccccc1CNCc1ccc(-c2ccnc3[nH]ccc23)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 5/20 0.57
▸ AKT2 P31751 1/20 0.45
▸ AKT3 Q9Y243 1/20 0.45
▸ NUDT1 P36639 3/20 0.43
▸ ROCK1 Q13464 2/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ IKBKB O14920 1/20 0.43
▸ CHUK O15111 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ PAK4 O96013 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ RET P07949 1/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ LTK P29376 1/20 0.43

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
SCHEMBL4791887 0.79 IKBKB (0.56) NUDT1ROCK1AURKBIKBKBCHUK
Hydrochloric Acid SCHEMBL23630168 0.78 IKBKB (0.54) NUDT1ROCK1AURKBIKBKBCHUK
Hydrochloric Acid SCHEMBL30995611 0.78 IKBKB (0.54) NUDT1ROCK1AURKBIKBKBCHUK
Hydrochloric Acid SCHEMBL29641558 0.78 IKBKB (0.54) NUDT1ROCK1AURKBIKBKBCHUK
SCHEMBL4791716 0.76 IKBKB (0.52) AKT1AKT2AKT3NUDT1ROCK1
SCHEMBL4584197 0.72 AKT1 (1.00) AKT1AKT2AKT3ROCK1AURKB
SCHEMBL4583367 0.71 AKT1 (0.73) AKT1AKT2AKT3ROCK1
SCHEMBL4602059 0.71 AKT1 (0.73) AKT1AKT2AKT3ROCK1
SCHEMBL103099 0.71 IKBKB (0.69) AKT1NUDT1ROCK1AURKBIKBKB
SCHEMBL29541343 0.71 IKBKB (0.69) AKT1NUDT1ROCK1AURKBIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979353-A2 FUSED HETEROBICYCLIC KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2008-10-15 — — EP claimed
US-20070208053-A1 Fused heterobicyclic kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-09-06 — — US claimed
WO-2007084667-A2 FUSED HETEROBICYCLIC KINASE INHIBITORS OSI PHARMACEUTICAL, INC. (US) 2007-07-26 — — WO claimed
EP-1979353-A2 FUSED HETEROBICYCLIC KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2008-10-15 — — EP disclosed
US-20070208053-A1 Fused heterobicyclic kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-09-06 — — US disclosed
US-20070208053-A1 Fused heterobicyclic kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-09-06 — — US disclosed
US-20070208053-A1 Fused heterobicyclic kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-09-06 — — US disclosed
WO-2007084667-A2 FUSED HETEROBICYCLIC KINASE INHIBITORS OSI PHARMACEUTICAL, INC. (US) 2007-07-26 — — WO disclosed
WO-2007084667-A2 FUSED HETEROBICYCLIC KINASE INHIBITORS OSI PHARMACEUTICAL, INC. (US) 2007-07-26 — — 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-20070208053-A1 Fused heterobicyclic kinase inhibitors MAP2K5, MAP2K7, MAP2K2 AKT1 428/4885AKT2 587/4885AKT3 395/4885

“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.