SCHEMBL3670760

SCHEMBL3670760

O=C(NC1CCCCC1)c1cc(-c2ccc3[nH]ncc3c2)on1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.67
PIM1 P11309 1/20 0.67
GSK3B P49841 1/20 0.67
NPC1 O15118 11/20 0.64
RAB9A P51151 10/20 0.64
KMT2A Q03164 3/20 0.64
CLK4 Q9HAZ1 3/20 0.62
STK17A Q9UEE5 3/20 0.62
DYRK1A Q13627 1/20 0.62
S1PR1 P21453 2/20 0.62
MEN1 O00255 2/20 0.62
MLLT1 Q03111 3/20 0.61
TDP1 Q9NUW8 1/20 0.60
MLLT3 P42568 2/20 0.59
RPS6KB1 P23443 2/20 0.58
CLK2 P49760 2/20 0.58
DYRK3 O43781 1/20 0.58
ROCK1 Q13464 1/20 0.58
MKNK2 Q9HBH9 1/20 0.58
CSNK1G1 Q9HCP0 1/20 0.58

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
SCHEMBL13901930 0.92 ROCK2 (0.67) ROCK2PIM1GSK3BNPC1RAB9A
SCHEMBL3669097 0.85 ROCK2 (0.65) ROCK2PIM1GSK3BNPC1RAB9A
SCHEMBL3672550 0.85 ROCK2 (0.64) ROCK2PIM1GSK3BNPC1RAB9A
SCHEMBL4094398 0.82 ROCK2 (0.57) ROCK2PIM1GSK3BNPC1RAB9A
SCHEMBL3668427 0.81 ROCK2 (1.00) ROCK2PIM1GSK3BNPC1RAB9A
SCHEMBL3639947 0.80 TSHR (0.58) ROCK2PIM1GSK3BNPC1RAB9A
SCHEMBL3673923 0.79 MLLT3 (0.60) ROCK2PIM1GSK3BNPC1RAB9A
SCHEMBL3667340 0.78 ROCK2 (0.70) ROCK2PIM1GSK3BNPC1RAB9A
SCHEMBL5414865 0.78 MAPK14 (0.65) ROCK2NPC1RAB9AKMT2AS1PR1
SCHEMBL5407541 0.78 MAPK14 (0.65) ROCK2NPC1RAB9AKMT2AS1PR1

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 9 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
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 (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-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ROCK2 48/4885PIM1 11/4885GSK3B 1/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ROCK2 48/4885PIM1 11/4885GSK3B 1/4885

“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.