SCHEMBL21742816

SCHEMBL21742816

Brc1cccc2sc3cc(-c4ccncc4)ccc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.43
PDE3A Q14432 3/20 0.43
LIMK1 P53667 2/20 0.43
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
PIP5K1C O60331 1/20 0.40
PI4KA P42356 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
GSK3B P49841 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
PRKCG P05129 1/20 0.35
LYN P07948 1/20 0.35
PRKACA P17612 1/20 0.35
RPS6KB1 P23443 1/20 0.35
AKT1 P31749 1/20 0.35
FLT3 P36888 1/20 0.35
CSNK1D P48730 1/20 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
SCHEMBL21622688 0.86 LIMK1 (0.40) LIMK1PIK3CAPI4KAPI4KBRAB9A
SCHEMBL21742558 0.84 LIMK1 (0.47) PDE3BPDE3ALIMK1PIK3CDPIK3CA
SCHEMBL23764989 0.84 PGR (0.36) LIMK1KDM4ERAB9A
SCHEMBL23765156 0.81 PGR (0.38) LIMK1PRKXKDM4ENPC1RAB9A
SCHEMBL23764952 0.78 CYP2A6 (0.38) LIMK1
SCHEMBL28304152 0.78 RAB9A (0.50) PDE3BPDE3ALIMK1PIK3CDPIK3CA
SCHEMBL25907813 0.74 LIMK1 (0.40) LIMK1PIK3CAPI4KAPI4KBROCK1
SCHEMBL25057525 0.73 MCL1 (0.37) NPC1RAB9A
SCHEMBL21368352 0.73 ALDH1A1 (0.33) DYRK1ARAB9A
SCHEMBL24343679 0.73 MAOA (0.37) RAB9A

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-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES PNMT, DDT, TYR PDE3B 3964/4885PDE3A 4105/4885LIMK1 2023/4885

“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.