SCHEMBL3686400

SCHEMBL3686400

Cc1ccc(-c2nn(C(C)(C)C)c3ncc(C(=O)O)c(N)c23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.58
ABL1 P00519 4/20 0.58
RIPK2 O43353 4/20 0.58
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 4/20 0.58
HTT P42858 4/20 0.58
KDR P35968 3/20 0.58
LMNA P02545 3/20 0.58
EGFR P00533 3/20 0.58
BTK Q06187 3/20 0.58
HPGD P15428 2/20 0.58
LCK P06239 2/20 0.58
FYN P06241 2/20 0.58
YES1 P07947 2/20 0.58
LYN P07948 2/20 0.58
PDGFRA P16234 2/20 0.58
PRKACA P17612 2/20 0.58
FRK P42685 2/20 0.58
MAPK9 P45984 2/20 0.58
CSNK1A1 P48729 2/20 0.58

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
SCHEMBL13019702 0.88 SRC (0.55) SRCABL1RIPK2KDM4EALDH1A1
SCHEMBL13019701 0.88 KDR (0.55) SRCABL1RIPK2KDM4EALDH1A1
SCHEMBL3685595 0.87 KDM4E (0.54) SRCABL1RIPK2KDM4EALDH1A1
SCHEMBL13147250 0.84 SRC (0.67) SRCABL1RIPK2KDM4EALDH1A1
SCHEMBL13020369 0.81 SRC (0.60) SRCABL1RIPK2KDM4EALDH1A1
SCHEMBL8918905 0.78 ALDH1A1 (0.57) SRCABL1RIPK2KDM4EALDH1A1
SCHEMBL13019700 0.77 SRC (0.56) SRCABL1RIPK2KDM4EALDH1A1
SCHEMBL3689655 0.76 KDM4E (0.49) SRCABL1RIPK2KDM4EALDH1A1
SCHEMBL3689010 0.76 KMT2A (0.54) SRCABL1RIPK2KDM4EALDH1A1
SCHEMBL13148300 0.75 SRC (0.59) SRCABL1RIPK2KDM4EALDH1A1

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
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 US disclosed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 US disclosed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 US disclosed
EP-2217239-A2 MODULATION OF PROTEIN TRAFFICKING Foldrx Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009062118-A2 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed
WO-2007126841-A2 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRX PHARMACEUTICALS, INC. (US) 2007-11-08 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-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY SNCA, PARK7, PINK1 SRC 3123/4885ABL1 2641/4885RIPK2 2600/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B SRC 1332/4885ABL1 1725/4885RIPK2 2849/4885

“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.