SCHEMBL3639947

SCHEMBL3639947

O=C(NC1CCCc2ccccc21)c1cc(-c2ccc3[nH]ncc3c2)on1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
ROCK2 O75116 5/20 0.57
GSK3B P49841 3/20 0.57
PIM1 P11309 2/20 0.57
MLLT3 P42568 1/20 0.54
MLLT1 Q03111 1/20 0.54
CLK4 Q9HAZ1 4/20 0.52
STK17A Q9UEE5 3/20 0.52
DYRK1A Q13627 3/20 0.52
CLK2 P49760 3/20 0.51
RPS6KB1 P23443 3/20 0.51
ROCK1 Q13464 3/20 0.51
DYRK3 O43781 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
CSNK1G1 Q9HCP0 1/20 0.51
TAS1R3 Q7RTX0 3/20 0.48
TAS1R1 Q7RTX1 3/20 0.48
TAS1R2 Q8TE23 3/20 0.48
CNR1 P21554 3/20 0.48
CNR2 P34972 2/20 0.48

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
SCHEMBL3673923 0.95 MLLT3 (0.60) TSHRROCK2GSK3BPIM1MLLT3
SCHEMBL3668493 0.86 ROCK2 (0.58) TSHRROCK2GSK3BPIM1MLLT3
SCHEMBL3669097 0.82 ROCK2 (0.65) ROCK2GSK3BPIM1MLLT3MLLT1
SCHEMBL14863654 0.82 HTT (0.60) TSHRTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL14863655 0.82 HTT (0.60) TSHRTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL3634686 0.81 ROCK2 (0.58) ROCK2GSK3BPIM1MLLT3MLLT1
SCHEMBL4298241 0.81 ROCK2 (0.58) ROCK2GSK3BPIM1MLLT3MLLT1
SCHEMBL3636521 0.81 ROCK2 (0.58) ROCK2GSK3BPIM1MLLT3MLLT1
SCHEMBL3670760 0.80 ROCK2 (0.67) ROCK2GSK3BPIM1MLLT3MLLT1
SCHEMBL13901930 0.78 ROCK2 (0.67) ROCK2GSK3BPIM1MLLT3MLLT1

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 TSHR 3823/4885ROCK2 48/4885GSK3B 1/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 TSHR 3823/4885ROCK2 48/4885GSK3B 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.