SCHEMBL4167572

SCHEMBL4167572

CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4ccc(N)cc4)c3c2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.79
KIT P10721 4/20 0.72
DYRK1A Q13627 3/20 0.65
CLK1 P49759 2/20 0.65
DYRK2 Q92630 2/20 0.65
DYRK1B Q9Y463 2/20 0.65
RIPK1 Q13546 4/20 0.62
IGF1R P08069 2/20 0.62
TNIK Q9UKE5 1/20 0.61
PLCG1 P19174 2/20 0.61
FYN P06241 2/20 0.59
USP7 Q93009 1/20 0.59
CDC7 O00311 1/20 0.58
PLK4 O00444 1/20 0.58
CHEK1 O14757 1/20 0.58
AURKA O14965 1/20 0.58
MAPK13 O15264 1/20 0.58
PDPK1 O15530 1/20 0.58
DYRK3 O43781 1/20 0.58
ROCK2 O75116 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
SCHEMBL3763379 0.90 NTRK1 (0.80) NTRK1KITDYRK1ACLK1DYRK2
SCHEMBL17319204 0.90 NTRK1 (0.80) NTRK1KITDYRK1ACLK1DYRK2
SCHEMBL4164044 0.90 NTRK1 (0.76) NTRK1KITDYRK1ACLK1DYRK2
SCHEMBL3775679 0.90 NTRK1 (0.76) NTRK1KITDYRK1ACLK1DYRK2
SCHEMBL3766005 0.88 NTRK1 (0.77) NTRK1KITDYRK1ACLK1DYRK2
SCHEMBL3760839 0.88 NTRK1 (1.00) NTRK1KITDYRK1ACLK1DYRK2
SCHEMBL3768119 0.87 RIPK1 (0.81) NTRK1KITDYRK1ACLK1DYRK2
SCHEMBL3761694 0.86 NTRK1 (0.84) NTRK1KITDYRK1ACLK1DYRK2
SCHEMBL4160145 0.86 NTRK1 (0.77) NTRK1KITDYRK1ACLK1DYRK2
SCHEMBL3756300 0.84 DYRK1A (0.72) NTRK1KITDYRK1ACLK1DYRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US claimed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US claimed
WO-2021006707-A1 USE OF SGK1 INHIBITOR AS THERAPEUTIC AGENT FOR INFLAMMATORY NEUROLOGICAL DISEASES 한양대학교 산학협력단 2021-01-14 WO disclosed
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 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-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes SGK1, SGK2, SGK3 NTRK1 964/4885KIT 1364/4885DYRK1A 378/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 NTRK1 997/4885KIT 1240/4885DYRK1A 360/4885

“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.