SCHEMBL3786980

SCHEMBL3786980

CNC(=S)Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2C(C)(C)C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.73
KDM4E B2RXH2 4/20 0.73
ALDH1A1 P00352 4/20 0.73
SRC P12931 6/20 0.60
KDR P35968 5/20 0.60
ABL1 P00519 4/20 0.60
RIPK2 O43353 2/20 0.60
EGFR P00533 2/20 0.60
LCK P06239 2/20 0.60
FYN P06241 2/20 0.60
YES1 P07947 2/20 0.60
LYN P07948 2/20 0.60
PDGFRA P16234 2/20 0.60
PRKACA P17612 2/20 0.60
FRK P42685 2/20 0.60
MAPK9 P45984 2/20 0.60
CSNK1A1 P48729 2/20 0.60
CSNK1D P48730 2/20 0.60
BLK P51451 2/20 0.60
BTK Q06187 2/20 0.60

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
SCHEMBL13840255 0.85 HTT (0.73) HTTKDM4EALDH1A1SRCKDR
SCHEMBL3781673 0.84 HTT (1.00) HTTKDM4EALDH1A1SRCKDR
SCHEMBL13147265 0.84 HTT (0.80) HTTKDM4EALDH1A1SRCKDR
SCHEMBL13019726 0.83 HTT (0.84) HTTKDM4EALDH1A1SRCKDR
SCHEMBL3782302 0.83 HTT (0.80) HTTKDM4EALDH1A1SRCKDR
SCHEMBL13020027 0.82 HTT (0.78) HTTKDM4EALDH1A1SRCKDR
SCHEMBL13020021 0.82 HTT (0.78) HTTKDM4EALDH1A1SRCKDR
SCHEMBL13019982 0.82 HTT (0.78) HTTKDM4EALDH1A1SRCKDR
SCHEMBL13020199 0.80 HTT (0.76) HTTKDM4EALDH1A1SRCKDR
SCHEMBL13019980 0.80 HTT (0.76) HTTKDM4EALDH1A1SRCKDR

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-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

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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B HTT 187/4885KDM4E 4425/4885ALDH1A1 3475/4885

“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.