SCHEMBL17010907

SCHEMBL17010907

c1ccc2c(c1)Cc1c-2sc2c3c(sc12)-c1ccccc1C3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.49
MAOA P21397 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
PNMT P11086 1/20 0.40
BCHE P06276 2/20 0.39
CES1 P23141 1/20 0.39
CHEK1 O14757 1/20 0.38
DAPK3 O43293 1/20 0.38
LTK P29376 1/20 0.38
MAPK8 P45983 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CDK8 P49336 1/20 0.38
CDK5 Q00535 1/20 0.38
DYRK1A Q13627 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38

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
SCHEMBL18774730 0.86 LIMK1 (0.40) LIMK1MAOACA1CA2CA4
SCHEMBL20656012 0.80 LIMK1 (0.44) LIMK1MAOACA1CA2CA4
SCHEMBL7074787 0.76 LIMK1 (0.44) LIMK1MAOACA1CA2CA4
SCHEMBL30103334 0.69 PNMT (0.63) MAOACA1CA2CA4CA6
SCHEMBL22263591 0.69 PNMT (0.57) MAOACA1CA2CA4CA6
SCHEMBL29355432 0.69 MAP3K9 (0.55) MAOACA1CA2CA4CA6
SCHEMBL22067694 0.69 MAP3K9 (0.55) MAOACA1CA2CA4CA6
SCHEMBL30741433 0.69 MAP3K9 (0.55) MAOACA1CA2CA4CA6
SCHEMBL524602 0.69 PNMT (0.63) MAOACA1CA2CA4CA6
SCHEMBL10018850 0.68 PNMT (0.47) LIMK1MAOACA1CA2CA4

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-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
US-9112157-B2 Hole transport materials including OLED applications SOLVAY USA, INC. (US) 2015-08-18 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-20200165266-A1 RING CLOSURE REACTION LIG4, ATG7, RNF4 LIMK1 4179/4885MAOA 672/4885CA1 3547/4885

“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.