SCHEMBL4153774

SCHEMBL4153774

COc1cccc(-c2cnc3[nH]cc(-c4cccc(CN)c4)c3c2)c1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIT P10721 10/20 0.74
NTRK1 P04629 2/20 0.69
NEK1 Q96PY6 1/20 0.67
SGK1 O00141 1/20 0.61
PLCG1 P19174 1/20 0.60
RIPK1 Q13546 1/20 0.57
DYRK1A Q13627 1/20 0.55

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
SCHEMBL15833893 0.90 KIT (0.86) KITNTRK1NEK1PLCG1RIPK1
SCHEMBL8316940 0.85 KIT (0.78) KITNTRK1NEK1PLCG1RIPK1
SCHEMBL29337270 0.85 SGK1 (0.83) KITNTRK1SGK1RIPK1DYRK1A
SCHEMBL17211637 0.84 KIT (0.77) KITNTRK1NEK1PLCG1RIPK1
SCHEMBL3763776 0.83 SGK1 (0.69) KITNTRK1SGK1DYRK1A
SCHEMBL14319049 0.81 DYRK1A (0.66) KITNTRK1NEK1SGK1PLCG1
SCHEMBL3757332 0.81 CAMKK2 (0.67) KITNTRK1SGK1RIPK1DYRK1A
SCHEMBL3697388 0.80 PIK3CA (0.74) KITNTRK1NEK1SGK1PLCG1
SCHEMBL14412694 0.80 KIT (0.72) KITNTRK1NEK1PLCG1RIPK1
SCHEMBL3759550 0.79 SGK1 (0.71) KITNTRK1NEK1SGK1PLCG1

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
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
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
EP-1828180-A1 1H-PYRROLO[2,3-BETA]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 EP disclosed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 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-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes SGK1, SGK2, SGK3 KIT 1364/4885NTRK1 964/4885NEK1 166/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 KIT 1240/4885NTRK1 997/4885NEK1 165/4885

“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.