SCHEMBL17834993

SCHEMBL17834993

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccc(C#N)cc53)c3ccccc3-4)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.39
PGR P06401 3/20 0.35
ALK Q9UM73 3/20 0.31
DYRK3 O43781 1/20 0.31
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
SRPK2 P78362 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 1/20 0.31
SRPK1 Q96SB4 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
SRPK3 Q9UPE1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30

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
SCHEMBL16998982 0.98 PDK2 (0.40) PDK2PGRALKDYRK3CLK1
SCHEMBL15183583 0.92 PDK2 (0.44) PDK2PGRGABRA1GABRG2GABRB3
SCHEMBL15290086 0.90 PDK2 (0.36) PDK2
SCHEMBL16998976 0.89 PDK2 (0.41) PDK2PGRGABRA1GABRG2GABRB3
SCHEMBL808085 0.89 PGR (0.41) PDK2PGR
SCHEMBL19754291 0.88 PDK2 (0.45) PDK2PGRGABRA1GABRG2GABRB3
SCHEMBL16998979 0.88 PDK2 (0.39) PDK2PGRALKDYRK3CLK1
SCHEMBL21442823 0.88 PDK2 (0.41) PDK2PGRADORA2AADORA2BADORA1
SCHEMBL20618642 0.88 PDK2 (0.37) PDK2PGRALKDYRK3CLK1
SCHEMBL17835032 0.88 PDK2 (0.39) PDK2PGRGABRA1GABRG2GABRB3

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-10683453-B2 Organic compounds with soluble groups MERCK PATENT GMBH (DE) 2020-06-16 US disclosed
US-20170369773-A1 ORGANIC COMPOUNDS WITH SOLUBLE GROUPS UDC IRELAND LIMITED (IE) 2017-12-28 US disclosed
WO-2016091353-A1 ORGANIC COMPOUNDS WITH SOLUBLE GROUPS MERCK PATENT GMBH (DE) 2016-06-16 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 (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-20170369773-A1 ORGANIC COMPOUNDS WITH SOLUBLE GROUPS SLCO4C1, SLCO1B3, SLCO2B1 PDK2 2619/4885PGR 1042/4885ALK 86/4885
US-10683453-B2 Organic compounds with soluble groups SLCO4C1, SLCO1B3, SLCO2B1 PDK2 2619/4885PGR 1042/4885ALK 86/4885

“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.