SCHEMBL19002452

SCHEMBL19002452

CCC(=O)N1CCOC(c2nccs2)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.45
BTK Q06187 1/20 0.37
DRD4 P21917 2/20 0.35
LRRK2 Q5S007 1/20 0.35
CCR5 P51681 1/20 0.34
PKM P14618 1/20 0.33
P2RX3 P56373 1/20 0.33
KDM6B O15054 2/20 0.32
KDM5C P41229 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
KDM4A O75164 1/20 0.32
TSHR P16473 1/20 0.32
EPHA2 P29317 1/20 0.32
KDR P35968 1/20 0.32
PIK3CD O00329 1/20 0.32
PDE2A O00408 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KDM3A Q9Y4C1 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
SCHEMBL23497183 0.83 KRAS (0.47) KRASDRD4LRRK2KDM4CPDE2A
SCHEMBL21740931 0.82 KRAS (0.45) KRASBTKDRD4LRRK2CCR5
SCHEMBL18997551 0.82 KRAS (0.45) KRASDRD4LRRK2EPHA2KDR
SCHEMBL18711623 0.78 DRD4 (0.47) DRD4KDM6BKDM5CKDM4CKDM2A
SCHEMBL27906043 0.77 MEN1 (0.42) BTKDRD4PKMKDM6BKDM5C
SCHEMBL17166456 0.76 LRRK2 (0.39) KRASDRD4LRRK2
SCHEMBL2039026 0.75 PIK3CD (0.38) DRD4PIK3CD
SCHEMBL24829743 0.73 KRAS (0.41) KRASDRD4LRRK2PDE2A
SCHEMBL14035660 0.72 USP30 (0.51) TSHR
SCHEMBL17166234 0.72 LRRK2 (0.37) KRASLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 KRAS 608/4885BTK 624/4885DRD4 4871/4885

“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.