SCHEMBL1654501

SCHEMBL1654501

Fc1cc(-n2ccc3cnc(Nc4ccccc4)nc32)cc(F)c1CN1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 3/20 0.57
STAT6 P42226 6/20 0.54
JAK2 O60674 4/20 0.49
BRD4 O60885 3/20 0.49
AURKA O14965 5/20 0.49
AURKB Q96GD4 2/20 0.49
CDK1 P06493 2/20 0.46
KDR P35968 2/20 0.46
EGFR P00533 2/20 0.46
CDC7 O00311 1/20 0.46
CHEK1 O14757 1/20 0.46
DCLK1 O15075 1/20 0.46
MAPK13 O15264 1/20 0.46
PDPK1 O15530 1/20 0.46
DAPK3 O43293 1/20 0.46
ROCK2 O75116 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
CHEK2 O96017 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
SCHEMBL1655004 0.92 RPS6KA3 (0.54) RPS6KA3STAT6JAK2BRD4AURKA
SCHEMBL1654507 0.92 RPS6KA3 (0.56) RPS6KA3STAT6JAK2BRD4AURKA
SCHEMBL4283758 0.92 STAT6 (0.58) RPS6KA3STAT6JAK2BRD4AURKA
SCHEMBL4284037 0.91 STAT6 (0.54) RPS6KA3STAT6JAK2BRD4AURKA
SCHEMBL1657475 0.91 RPS6KA3 (0.55) RPS6KA3STAT6JAK2BRD4AURKA
SCHEMBL1657555 0.88 RPS6KA3 (0.53) RPS6KA3STAT6JAK2BRD4AURKA
SCHEMBL1656272 0.88 RPS6KA3 (0.54) RPS6KA3STAT6JAK2BRD4AURKA
SCHEMBL1654492 0.88 RPS6KA3 (0.50) RPS6KA3STAT6JAK2BRD4AURKA
SCHEMBL1655241 0.87 RPS6KA3 (0.54) RPS6KA3STAT6JAK2BRD4AURKA
SCHEMBL1655869 0.87 RPS6KA3 (0.54) RPS6KA3STAT6JAK2BRD4AURKA

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 9 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
JP-2011511034-A 2011-04-07 JP claimed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 EP claimed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 US claimed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 WO 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

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 RPS6KA3 303/4885STAT6 601/4885JAK2 2/4885

“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.