SCHEMBL3757348

SCHEMBL3757348

CS(=O)(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc(N)cc(C(=O)O)c4)c3c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.63
TNIK Q9UKE5 6/20 0.60
PIK3CA P42336 1/20 0.60
CAMKK2 Q96RR4 3/20 0.59
AXL P30530 6/20 0.59
KIT P10721 1/20 0.54
DYRK1A Q13627 2/20 0.54
CDC7 O00311 1/20 0.54
PLK4 O00444 1/20 0.54
CHEK1 O14757 1/20 0.54
AURKA O14965 1/20 0.54
MAPK13 O15264 1/20 0.54
PDPK1 O15530 1/20 0.54
DYRK3 O43781 1/20 0.54
ROCK2 O75116 1/20 0.54
RPS6KA5 O75582 1/20 0.54
PRKD3 O94806 1/20 0.54
PAK4 O96013 1/20 0.54
CHEK2 O96017 1/20 0.54
ABL1 P00519 1/20 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
SCHEMBL3772897 0.90 CLK1 (0.68) NTRK1TNIKCAMKK2AXLDYRK1A
SCHEMBL3765020 0.89 CAMKK2 (0.75) NTRK1TNIKPIK3CACAMKK2AXL
SCHEMBL3761716 0.87 CAMKK2 (0.79) NTRK1PIK3CACAMKK2AXLKIT
SCHEMBL8260070 0.86 NTRK1 (0.74) NTRK1PIK3CACAMKK2AXLKIT
SCHEMBL3771216 0.83 AXL (0.67) NTRK1PIK3CACAMKK2AXLKIT
SCHEMBL3765757 0.81 AXL (0.72) NTRK1TNIKPIK3CACAMKK2AXL
SCHEMBL3763986 0.80 SGK1 (0.65) NTRK1TNIKPIK3CACAMKK2AXL
SCHEMBL298800 0.80 TNIK (0.54) NTRK1TNIKPIK3CACAMKK2KIT
SCHEMBL3807981 0.80 SGK1 (0.67) NTRK1TNIKPIK3CACAMKK2KIT
SCHEMBL3761616 0.80 SGK1 (0.73) NTRK1TNIKPIK3CACAMKK2AXL

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 8 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
WO-2010049173-A1 USE OF INHIBITORS OF HOST KINASES FOR THE TREATMENT OF INFECTIOUS DISEASES CENIX BIOSCIENCE GMBH (DE) 2010-05-06 WO claimed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US claimed
EP-1828180-A1 1H-PYRROLO[2,3-BETA]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 EP claimed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 WO 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 964/4885TNIK 212/4885PIK3CA 335/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 NTRK1 997/4885TNIK 213/4885PIK3CA 355/4885

“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.