SCHEMBL3685595

SCHEMBL3685595

CCOC(=O)c1cnc2c(c(-c3ccc(C)cc3)nn2C(C)(C)C)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 6/20 0.54
HPGD P15428 5/20 0.54
LMNA P02545 3/20 0.54
RIPK2 O43353 3/20 0.54
EGFR P00533 2/20 0.54
BTK Q06187 2/20 0.54
ABL1 P00519 2/20 0.54
SRC P12931 2/20 0.54
CSNK1D P48730 2/20 0.54
PLK4 O00444 1/20 0.54
ROCK2 O75116 1/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
ERBB2 P04626 1/20 0.54
INSR P06213 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
CSF1R P07333 1/20 0.54
YES1 P07947 1/20 0.54

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
SCHEMBL8918905 0.92 ALDH1A1 (0.57) KDM4EALDH1A1HPGDLMNARIPK2
SCHEMBL13019702 0.90 SRC (0.55) KDM4EALDH1A1HPGDLMNARIPK2
SCHEMBL3689655 0.88 KDM4E (0.49) KDM4EALDH1A1HPGDLMNARIPK2
SCHEMBL3689010 0.87 KMT2A (0.54) KDM4EALDH1A1HPGDLMNARIPK2
SCHEMBL3686400 0.87 SRC (0.58) KDM4EALDH1A1HPGDLMNARIPK2
SCHEMBL13019701 0.84 KDR (0.55) KDM4EALDH1A1HPGDLMNARIPK2
SCHEMBL13020369 0.82 SRC (0.60) KDM4EALDH1A1HPGDLMNARIPK2
SCHEMBL8916363 0.81 KMT2A (0.54) KDM4EALDH1A1HPGDLMNARIPK2
SCHEMBL13147250 0.80 SRC (0.67) KDM4EALDH1A1HPGDLMNARIPK2
SCHEMBL8915718 0.80 ALDH1A1 (0.53) KDM4EALDH1A1HPGDLMNARIPK2

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 3 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-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

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 KDM4E 4683/4885ALDH1A1 2199/4885HPGD 3768/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B KDM4E 4425/4885ALDH1A1 3475/4885HPGD 4453/4885

“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.