SCHEMBL3783350

SCHEMBL3783350

COc1cccc(-c2nccc3[nH]nc(C)c23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.48
CLK2 P49760 2/20 0.48
CLK3 P49761 2/20 0.48
LRRK2 Q5S007 3/20 0.47
CLK4 Q9HAZ1 1/20 0.47
GAA P10253 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.45
TTK P33981 1/20 0.44
CACNA2D1 P54289 1/20 0.43
MAPK13 O15264 1/20 0.43
RAF1 P04049 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
FYN P06241 1/20 0.42
AURKA O14965 1/20 0.42
NOTUM Q6P988 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL3775299 0.81 TDO2 (0.47) DYRK1ACLK2CLK3LRRK2TTK
SCHEMBL3766533 0.80 TTK (0.58) DYRK1ACLK2CLK4GAATTK
SCHEMBL25735970 0.77 LRRK2 (0.53) DYRK1ACLK2CLK3LRRK2CLK4
SCHEMBL7944851 0.75 DYRK1A (0.59) DYRK1ACLK4GAACACNA2D1MAPK13
SCHEMBL3762138 0.74 CYP1A2 (0.47) LRRK2CLK4FYNLMNASMN1; SMN2
SCHEMBL11683337 0.73 GAA (0.55) DYRK1ACLK2CLK3CLK4GAA
SCHEMBL3766647 0.72 LRRK2 (0.61) LRRK2CLK4GAALMNA
SCHEMBL3770383 0.72 PDE3B (0.46) DYRK1ACLK2CLK3LRRK2CLK4
SCHEMBL15622271 0.72 AURKA (0.60) LRRK2GAADCUN1D1TTKAURKA
SCHEMBL10094648 0.71 DYRK1A (0.62) DYRK1ACLK4GAAAURKASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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 (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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 DYRK1A 2575/4885CLK2 2298/4885CLK3 846/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 DYRK1A 2549/4885CLK2 2296/4885CLK3 864/4885

“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.