SCHEMBL4287772

SCHEMBL4287772

COC1CCN(Cc2ccc(Nc3ncc4ccn(-c5cc(F)c(CN6CCOCC6)c(F)c5)c4n3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 5/20 0.47
RPS6KA3 P51812 2/20 0.46
AURKA O14965 3/20 0.45
AURKB Q96GD4 1/20 0.45
JAK3 P52333 2/20 0.45
FGFR1 P11362 1/20 0.44
FGFR4 P22455 1/20 0.44
KDR P35968 1/20 0.44
EGFR P00533 1/20 0.42
JAK2 O60674 6/20 0.42
BRD4 O60885 6/20 0.42
CDK4 P11802 2/20 0.41

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
SCHEMBL1655070 0.90 RPS6KA3 (0.44) STAT6RPS6KA3AURKAAURKBJAK2
SCHEMBL1655626 0.89 RPS6KA3 (0.45) STAT6RPS6KA3AURKAJAK3JAK2
SCHEMBL4283758 0.89 STAT6 (0.58) STAT6RPS6KA3AURKAAURKBJAK3
SCHEMBL1655824 0.86 RPS6KA3 (0.52) STAT6RPS6KA3AURKAAURKBJAK3
SCHEMBL1657599 0.86 RPS6KA3 (0.51) STAT6RPS6KA3AURKAAURKBJAK3
SCHEMBL4288520 0.86 STAT6 (0.53) STAT6RPS6KA3AURKAAURKBJAK3
SCHEMBL1655028 0.86 STAT6 (0.53) STAT6RPS6KA3AURKAAURKBJAK3
SCHEMBL13749853 0.86 STAT6 (0.49) STAT6RPS6KA3AURKAAURKBJAK3
SCHEMBL1655255 0.86 STAT6 (0.51) STAT6RPS6KA3AURKAAURKBJAK3
SCHEMBL4289879 0.85 RPS6KA3 (0.46) STAT6RPS6KA3AURKAAURKBJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 STAT6 601/4885RPS6KA3 303/4885AURKA 755/4885

“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.