SCHEMBL3671097

SCHEMBL3671097

O=C(NCc1ccncc1)c1cc(-c2ccc3[nH]ncc3c2)on1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.66
GSK3B P49841 4/20 0.66
PIM1 P11309 3/20 0.66
DYRK1A Q13627 4/20 0.53
CLK4 Q9HAZ1 3/20 0.53
STK17A Q9UEE5 2/20 0.53
ROCK1 Q13464 4/20 0.53
AURKA O14965 3/20 0.53
DAPK3 O43293 3/20 0.53
JAK2 O60674 3/20 0.53
GSK3A P49840 3/20 0.53
CDK5 Q00535 3/20 0.53
AURKB Q96GD4 3/20 0.53
FGFR1 P11362 2/20 0.53
PRKACA P17612 2/20 0.53
KDR P35968 2/20 0.53
CLK2 P49760 2/20 0.53
CHEK1 O14757 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53

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
SCHEMBL3670364 0.91 ROCK2 (0.67) ROCK2GSK3BPIM1DYRK1ACLK4
SCHEMBL3666993 0.90 ROCK2 (0.64) ROCK2GSK3BPIM1DYRK1ACLK4
SCHEMBL3675839 0.89 RAB9A (0.67) ROCK2GSK3BPIM1DYRK1ACLK4
SCHEMBL3669367 0.89 ROCK2 (0.65) ROCK2GSK3BPIM1DYRK1ACLK4
SCHEMBL3634570 0.88 ROCK2 (0.61) ROCK2GSK3BPIM1DYRK1ACLK4
SCHEMBL3668000 0.84 ROCK2 (0.61) ROCK2GSK3BPIM1DYRK1ACLK4
SCHEMBL3670618 0.84 RAB9A (0.66) ROCK2GSK3BPIM1DYRK1ACLK4
SCHEMBL3636127 0.82 ROCK2 (0.61) ROCK2GSK3BPIM1DYRK1ACLK4
SCHEMBL3667340 0.82 ROCK2 (0.70) ROCK2GSK3BPIM1DYRK1ACLK4
SCHEMBL3636281 0.82 ROCK2 (0.58) 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
EP-2102649-A1 DETERMINATION AND PREDICTION OF THE EXPRESSION OF TRAITS OF PLANTS FROM THE METABOLITE PROFILE AS A BIOMARKER Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. Berlin (DE) 2009-09-23 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
WO-2008077635-A1 DETERMINATION AND PREDICTION OF THE EXPRESSION OF TRAITS OF PLANTS FROM THE METABOLITE PROFILE AS A BIOMARKER MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-07-03 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 48/4885GSK3B 1/4885PIM1 11/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ROCK2 48/4885GSK3B 1/4885PIM1 11/4885

“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.