SCHEMBL3697388

SCHEMBL3697388

N#Cc1cccc(-c2cnc3[nH]cc(-c4cccc(CN)c4)c3c2)c1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.74
NTRK1 P04629 3/20 0.74
NEK1 Q96PY6 1/20 0.68
KIT P10721 3/20 0.65
SGK1 O00141 2/20 0.61
TNIK Q9UKE5 2/20 0.60
PLCG1 P19174 1/20 0.60
ALK Q9UM73 1/20 0.55
CDK8 P49336 2/20 0.50
IGF1R P08069 1/20 0.50
AXL P30530 1/20 0.50

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
SCHEMBL3768471 0.92 SGK1 (0.73) PIK3CANTRK1NEK1KITSGK1
SCHEMBL3775635 0.92 PIK3CA (0.72) PIK3CANTRK1NEK1KITSGK1
SCHEMBL29337270 0.85 SGK1 (0.83) NTRK1KITSGK1TNIKCDK8
SCHEMBL12763325 0.83 PIK3CA (0.76) PIK3CANTRK1NEK1KITSGK1
SCHEMBL4163107 0.82 NTRK1 (0.62) PIK3CANTRK1NEK1KITSGK1
SCHEMBL3763776 0.81 SGK1 (0.69) NTRK1KITSGK1TNIKCDK8
SCHEMBL14319049 0.81 DYRK1A (0.66) PIK3CANTRK1NEK1KITSGK1
SCHEMBL4153774 0.80 KIT (0.74) NTRK1NEK1KITSGK1PLCG1
SCHEMBL3760892 0.79 SGK1 (0.70) PIK3CANTRK1NEK1KITSGK1
SCHEMBL3757332 0.79 CAMKK2 (0.67) PIK3CANTRK1KITSGK1CDK8

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
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
WO-2010049173-A1 USE OF INHIBITORS OF HOST KINASES FOR THE TREATMENT OF INFECTIOUS DISEASES CENIX BIOSCIENCE GMBH (DE) 2010-05-06 WO 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 PIK3CA 335/4885NTRK1 964/4885NEK1 166/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 PIK3CA 355/4885NTRK1 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.