SCHEMBL15426656

SCHEMBL15426656

OC(c1ccn(-c2ccnc3[nH]ccc23)n1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 2/20 0.44
PBK Q96KB5 2/20 0.43
NUDT1 P36639 5/20 0.42
PRKCI P41743 1/20 0.41
GSK3B P49841 1/20 0.41
JAK2 O60674 8/20 0.40
JAK1 P23458 8/20 0.40
JAK3 P52333 3/20 0.40
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
TYK2 P29597 1/20 0.36

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
SCHEMBL100483 0.79 PRKCI (0.54) AKT2PBKNUDT1PRKCIGSK3B
Trifluoroacetic Acid SCHEMBL4082434 0.72 PRKCI (0.46) AKT2PBKNUDT1PRKCIGSK3B
SCHEMBL13774669 0.70 PRKCI (0.52) AKT2PBKNUDT1PRKCIJAK2
SCHEMBL18599525 0.68 PRKCI (0.51) AKT2PBKNUDT1PRKCIGSK3B
SCHEMBL100482 0.68 JAK1 (0.45) AKT2PBKNUDT1PRKCIJAK2
SCHEMBL18602143 0.67 PRKCI (0.49) AKT2PBKNUDT1PRKCIGSK3B
SCHEMBL28055281 0.67 PRKCI (0.46) AKT2PBKNUDT1PRKCIJAK2
SCHEMBL4082436 0.66 PRKCI (0.46) AKT2PBKNUDT1PRKCIGSK3B
SCHEMBL100939 0.66 JAK2 (0.52) AKT2NUDT1PRKCIJAK2JAK3
SCHEMBL29540619 0.66 JAK2 (0.52) AKT2NUDT1PRKCIJAK2JAK3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933086-B2 Heteroaryl substituted pyrrolo[2,3-B]pyridines and pyrrolo[2,3-B]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2015-01-13 US disclosed
US-8933086-B2 Heteroaryl substituted pyrrolo[2,3-B]pyridines and pyrrolo[2,3-B]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2015-01-13 US disclosed
US-20140018374-A1 Heteroaryl Substituted Pyrrolo[2,3-B]Pyridines And Pyrrolo[2,3-B]Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION (US) 2014-01-16 US disclosed
US-20140018374-A1 Heteroaryl Substituted Pyrrolo[2,3-B]Pyridines And Pyrrolo[2,3-B]Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION (US) 2014-01-16 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 (1 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-20140018374-A1 Heteroaryl Substituted Pyrrolo[2,3-B]Pyridines And Pyrrolo[2,3-B]Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 AKT2 1064/4885PBK 359/4885NUDT1 1879/4885

“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.