SCHEMBL4284033

SCHEMBL4284033

O=C1CN(c2ncc(Nc3ncc4ccn(-c5cc(F)c(CN6CCOCC6)c(F)c5)c4n3)cc2Cl)CCN1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.46
BRD4 O60885 8/20 0.46
RPS6KA3 P51812 2/20 0.46
STAT6 P42226 6/20 0.42
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
PDGFRB P09619 1/20 0.38
SLC2A1 P11166 1/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
PDGFRA P16234 1/20 0.38
PKMYT1 Q99640 1/20 0.38
JAK3 P52333 4/20 0.37
JAK1 P23458 3/20 0.37
BRD2 P25440 3/20 0.37
BRD3 Q15059 3/20 0.37
BRDT Q58F21 3/20 0.37
WEE1 P30291 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
SCHEMBL1655218 0.90 RPS6KA3 (0.49) JAK2BRD4RPS6KA3STAT6AURKA
SCHEMBL4294254 0.86 JAK2 (0.49) JAK2BRD4RPS6KA3STAT6JAK3
SCHEMBL4288398 0.85 RPS6KA3 (0.47) JAK2BRD4RPS6KA3STAT6AURKA
SCHEMBL4288402 0.85 RPS6KA3 (0.47) JAK2BRD4RPS6KA3STAT6AURKA
SCHEMBL4293374 0.85 STAT6 (0.48) JAK2BRD4RPS6KA3STAT6AURKA
SCHEMBL1655657 0.82 RPS6KA3 (0.50) JAK2BRD4RPS6KA3STAT6JAK3
SCHEMBL13746946 0.81 RPS6KA3 (0.45) JAK2BRD4RPS6KA3STAT6AURKA
SCHEMBL4283847 0.81 JAK2 (0.46) JAK2BRD4RPS6KA3STAT6JAK3
SCHEMBL4286363 0.81 JAK2 (0.46) JAK2BRD4RPS6KA3STAT6JAK3
SCHEMBL13756746 0.80 RPS6KA3 (0.43) JAK2BRD4RPS6KA3STAT6JAK3

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 JAK2 2/4885BRD4 964/4885RPS6KA3 303/4885

“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.