Sugi Predict

Sugi Predict / Compounds / SCHEMBL252645

SCHEMBL252645

SCHEMBL252645

CCCc1nc2cc(F)ccc2cc1[C@H](C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ PIK3CD O00329 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ SMAD3 P84022 1/20 0.33
▸ CASR P41180 2/20 0.32
▸ PDE5A O76074 2/20 0.32
▸ PDE1A P54750 2/20 0.32
▸ PDE1B Q01064 2/20 0.32
▸ PDE1C Q14123 2/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL252646 1.00 TDP1 (0.34) TDP1ALDH1A1ALOX15LMNAPDE4A
SCHEMBL251262 0.89 TDP1 (0.36) TDP1ALDH1A1ALOX15LMNAPIK3CD
SCHEMBL251261 0.89 TDP1 (0.36) TDP1ALDH1A1ALOX15LMNAPIK3CD
SCHEMBL249665 0.88 TDP1 (0.34) TDP1ALDH1A1ALOX15LMNAPIK3CD
SCHEMBL252834 0.88 TDP1 (0.34) TDP1ALDH1A1ALOX15LMNAPIK3CD
SCHEMBL253429 0.88 TDP1 (0.34) TDP1ALDH1A1ALOX15LMNAPIK3CD
SCHEMBL14859955 0.88 TDP1 (0.34) TDP1ALDH1A1ALOX15LMNAPIK3CD
SCHEMBL3414301 0.88 TDP1 (0.34) TDP1ALDH1A1ALOX15LMNAPIK3CD
SCHEMBL14860189 0.88 TDP1 (0.34) TDP1ALDH1A1ALOX15LMNAPIK3CD
SCHEMBL253949 0.87 TDP1 (0.40) TDP1ALDH1A1LMNACASRCASP3

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
EP-2588469-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 — — EP disclosed
US-20130096134-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-18 — — US disclosed
US-20130096134-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-18 — — US disclosed
US-20130096134-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-18 — — US disclosed
WO-2012003271-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 — — WO disclosed
WO-2012003271-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 — — 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-20130096134-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, MALT1 TDP1 2619/4885ALDH1A1 3452/4885ALOX15 59/4885

“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.