SCHEMBL3769633

SCHEMBL3769633

Nc1ccc(-c2c[nH]c3ncc(-c4cccnc4)cc23)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.76
DYRK1A Q13627 3/20 0.76
PIK3CA P42336 2/20 0.76
MAP3K11 Q16584 1/20 0.72
CCNT1 O60563 1/20 0.67
CCNA2 P20248 1/20 0.67
CDK2 P24941 1/20 0.67
CDK9 P50750 1/20 0.67
CLK1 P49759 1/20 0.67
DYRK2 Q92630 1/20 0.67
DYRK1B Q9Y463 1/20 0.67
KIT P10721 5/20 0.66
AXL P30530 1/20 0.62
CDK8 P49336 1/20 0.62
TNIK Q9UKE5 1/20 0.62
PDPK1 O15530 1/20 0.61
NEK1 Q96PY6 2/20 0.61
SGK1 O00141 1/20 0.57

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
SCHEMBL4171362 0.88 NTRK1 (0.70) NTRK1DYRK1APIK3CACCNT1CCNA2
SCHEMBL3769860 0.87 DYRK1A (0.75) NTRK1DYRK1APIK3CACCNT1CCNA2
SCHEMBL3764839 0.87 AXL (0.83) NTRK1DYRK1APIK3CAMAP3K11CLK1
SCHEMBL18576768 0.85 NTRK1 (1.00) NTRK1DYRK1APIK3CAMAP3K11CLK1
SCHEMBL3762873 0.84 MAP3K11 (0.73) NTRK1DYRK1APIK3CAMAP3K11CDK2
SCHEMBL722564 0.84 MAP3K11 (1.00) NTRK1DYRK1APIK3CAMAP3K11CLK1
SCHEMBL17951904 0.84 DYRK1A (0.74) NTRK1DYRK1APIK3CACCNT1CCNA2
SCHEMBL3760212 0.83 AXL (0.80) NTRK1DYRK1APIK3CACDK2KIT
SCHEMBL26175478 0.82 KIT (0.67) NTRK1DYRK1APIK3CACCNT1CCNA2
SCHEMBL16344153 0.82 GSK3B (0.73) NTRK1DYRK1APIK3CACCNT1CCNA2

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 7 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
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

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 964/4885DYRK1A 378/4885PIK3CA 335/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 NTRK1 997/4885DYRK1A 360/4885PIK3CA 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.