SCHEMBL3672550

SCHEMBL3672550

O=C(NCC1CCCCC1)c1cc(-c2ccc3[nH]ncc3c2)on1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.64
GSK3B P49841 5/20 0.64
PIM1 P11309 3/20 0.64
DYRK1A Q13627 5/20 0.59
CLK4 Q9HAZ1 4/20 0.59
STK17A Q9UEE5 3/20 0.59
ROCK1 Q13464 6/20 0.55
CLK2 P49760 3/20 0.55
RPS6KB1 P23443 3/20 0.55
DYRK3 O43781 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
CSNK1G1 Q9HCP0 1/20 0.55
HIF1A Q16665 1/20 0.55
MLLT1 Q03111 1/20 0.54
AURKA O14965 4/20 0.54
DAPK3 O43293 4/20 0.54
GSK3A P49840 4/20 0.54
CDK5 Q00535 4/20 0.54
PRKACA P17612 3/20 0.54
JAK2 O60674 3/20 0.54

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
SCHEMBL3670760 0.85 ROCK2 (0.67) ROCK2GSK3BPIM1DYRK1ACLK4
SCHEMBL3667340 0.80 ROCK2 (0.70) ROCK2GSK3BPIM1DYRK1ACLK4
SCHEMBL17661435 0.79 NPC1 (0.69) HIF1AMLLT1MAPK1NPC1RAB9A
SCHEMBL3670364 0.78 ROCK2 (0.67) ROCK2GSK3BPIM1DYRK1ACLK4
SCHEMBL3636001 0.78 ROCK2 (0.71) ROCK2GSK3BPIM1DYRK1ACLK4
SCHEMBL13901930 0.78 ROCK2 (0.67) ROCK2GSK3BPIM1DYRK1ACLK4
SCHEMBL3668427 0.78 ROCK2 (1.00) ROCK2GSK3BPIM1DYRK1ACLK4
SCHEMBL3671097 0.78 ROCK2 (0.66) ROCK2GSK3BPIM1DYRK1ACLK4
SCHEMBL3670768 0.77 FAAH (0.67) ROCK2GSK3BPIM1DYRK1ACLK4
SCHEMBL3669367 0.77 ROCK2 (0.65) ROCK2GSK3BPIM1DYRK1ACLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167491-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS Abbott Laboratories (US) 2010-03-31 EP claimed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 US claimed
WO-2008154241-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-12-18 WO claimed
US-9163007-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2015-10-20 US disclosed
US-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-11-20 US disclosed
US-8648069-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2014-02-11 US disclosed
EP-2167491-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS Abbott Laboratories (US) 2010-03-31 EP disclosed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2008154241-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-12-18 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 (3 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-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ROCK2 48/4885GSK3B 1/4885PIM1 11/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ROCK2 48/4885GSK3B 1/4885PIM1 11/4885
US-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 ROCK2 858/4885GSK3B 1142/4885PIM1 616/4885

“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.