SCHEMBL20656012

SCHEMBL20656012

c1ccc2c(c1)Cc1c-2sc2ccsc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.44
HRH1 P35367 3/20 0.36
HRH4 Q9H3N8 2/20 0.36
KDR P35968 1/20 0.35
LMNA P02545 2/20 0.35
CHRM2 P08172 2/20 0.35
ADRA2A P08913 2/20 0.35
CHRM1 P11229 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
CNR1 P21554 2/20 0.35
DRD1 P21728 2/20 0.35
ADRA1D P25100 2/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
ADRA1A P35348 2/20 0.35
DRD3 P35462 2/20 0.35
OPRK1 P41145 2/20 0.35
HTR2B P41595 2/20 0.35
HTR3A P46098 2/20 0.35

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
SCHEMBL14652443 0.83 GPR35 (0.32)
SCHEMBL20656014 0.81 GPR35 (0.31)
SCHEMBL17010907 0.80 LIMK1 (0.49) LIMK1KDRLMNAALDH1A1HPGD
SCHEMBL16546081 0.74
SCHEMBL7074787 0.74 LIMK1 (0.44) LIMK1DRD1DRD3L3MBTL1MAP3K9
SCHEMBL21439938 0.73
SCHEMBL22270138 0.72 PTPRC (0.50) HRH1HRH4KDRLMNACHRM2
SCHEMBL20656176 0.72
SCHEMBL18049808 0.71 MAP3K9 (0.36) LIMK1KDRMAP3K9MAP3K11PNMT
SCHEMBL15017938 0.70 PNMT (0.47) LIMK1HRH1HRH4KDRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200165266-A1 RING CLOSURE REACTION FLEXENABLE LIMITED (GB) 2020-05-28 US disclosed
WO-2019011826-A1 RING CLOSURE REACTION MERCK PATENT GMBH (DE) 2019-01-17 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-20200165266-A1 RING CLOSURE REACTION LIG4, ATG7, RNF4 LIMK1 4179/4885HRH1 1390/4885HRH4 1758/4885

“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.