SCHEMBL3761982

SCHEMBL3761982

Oc1ccc(-c2c[nH]c3ncc(-c4ccsc4)cc23)cc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 12/20 0.75
DYRK1B Q9Y463 10/20 0.75
DYRK2 Q92630 9/20 0.75
CLK1 P49759 8/20 0.75
CDK8 P49336 1/20 0.69
CCNT1 O60563 1/20 0.60
CCNA2 P20248 1/20 0.60
CDK2 P24941 1/20 0.60
CDK9 P50750 1/20 0.60
AXL P30530 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
SCHEMBL3770371 0.86 DYRK1A (1.00) DYRK1ADYRK1BDYRK2CLK1CDK8
SCHEMBL3770685 0.85 AXL (0.72) DYRK1ADYRK1BDYRK2CLK1CDK8
SCHEMBL3767902 0.84 MAP3K11 (0.70) DYRK1ACDK8CCNT1CCNA2CDK2
SCHEMBL12763233 0.84 CDK8 (0.76) DYRK1ADYRK1BDYRK2CLK1CDK8
SCHEMBL3771378 0.84 SGK1 (0.70) DYRK1ADYRK1BDYRK2CLK1CDK8
SCHEMBL3696023 0.83 CLK1 (0.72) DYRK1ADYRK1BDYRK2CLK1CDK8
SCHEMBL15799643 0.82 CDK8 (0.70) DYRK1ADYRK1BDYRK2CLK1CDK8
SCHEMBL8314546 0.82 CDK8 (0.77) DYRK1ADYRK1BDYRK2CLK1CDK8
SCHEMBL15999481 0.82 CDK8 (0.58) DYRK1ADYRK1BDYRK2CLK1CDK8
SCHEMBL15833892 0.81 DYRK1A (0.89) DYRK1ADYRK1BDYRK2CLK1CDK8

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 DYRK1A 378/4885DYRK1B 345/4885DYRK2 348/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 DYRK1A 360/4885DYRK1B 327/4885DYRK2 317/4885

“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.