SCHEMBL4296915

SCHEMBL4296915

CN1CCN(Cc2cccc(Nc3ncc4ccn(-c5cc(F)c(C(=O)N6CCOCC6)c(F)c5)c4n3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.52
JAK2 O60674 10/20 0.49
BRD4 O60885 10/20 0.49
JAK3 P52333 6/20 0.49
RPS6KA3 P51812 2/20 0.49
JAK1 P23458 3/20 0.47
BRD2 P25440 3/20 0.47
BRD3 Q15059 3/20 0.47
BRDT Q58F21 3/20 0.47
STAT6 P42226 1/20 0.46

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
SCHEMBL4291720 0.92 JAK2 (0.51) JAK2BRD4JAK3RPS6KA3JAK1
SCHEMBL1654958 0.90 TBK1 (0.52) TBK1JAK2BRD4JAK3RPS6KA3
SCHEMBL1655855 0.89 JAK2 (0.53) JAK2BRD4JAK3RPS6KA3JAK1
SCHEMBL1655030 0.88 JAK2 (0.59) JAK2BRD4JAK3RPS6KA3JAK1
SCHEMBL4291476 0.86 RPS6KA3 (0.53) TBK1JAK2BRD4JAK3RPS6KA3
SCHEMBL1655034 0.86 RPS6KA3 (0.46) JAK2BRD4JAK3RPS6KA3JAK1
SCHEMBL1655662 0.85 JAK3 (0.49) TBK1JAK2BRD4JAK3RPS6KA3
SCHEMBL1655957 0.85 JAK2 (0.54) TBK1JAK2BRD4JAK3RPS6KA3
SCHEMBL4284037 0.84 STAT6 (0.54) TBK1JAK2BRD4JAK3RPS6KA3
SCHEMBL1657598 0.84 RPS6KA3 (0.58) JAK2BRD4JAK3RPS6KA3JAK1

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-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US claimed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US claimed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 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 (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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 TBK1 634/4885JAK2 2/4885BRD4 964/4885

“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.