SCHEMBL1655004

SCHEMBL1655004

Fc1cc(-n2ccc3cnc(Nc4cccnc4)nc32)cc(F)c1CN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 3/20 0.54
AURKA O14965 3/20 0.49
CDK4 P11802 2/20 0.49
STAT6 P42226 6/20 0.48
PTK2 Q05397 3/20 0.46
JAK2 O60674 2/20 0.46
BRD4 O60885 2/20 0.46
AURKB Q96GD4 1/20 0.43
TBK1 Q9UHD2 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40

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
SCHEMBL1654501 0.92 RPS6KA3 (0.57) RPS6KA3AURKACDK4STAT6JAK2
SCHEMBL1654507 0.91 RPS6KA3 (0.56) RPS6KA3AURKACDK4STAT6PTK2
SCHEMBL4284037 0.89 STAT6 (0.54) RPS6KA3AURKASTAT6PTK2JAK2
SCHEMBL27824864 0.88 RPS6KA3 (0.62) RPS6KA3AURKACDK4STAT6PTK2
SCHEMBL1657539 0.88 AURKA (0.48) RPS6KA3AURKACDK4PTK2JAK2
SCHEMBL1657536 0.88 AURKA (0.48) RPS6KA3AURKACDK4PTK2JAK2
SCHEMBL1656272 0.88 RPS6KA3 (0.54) RPS6KA3AURKACDK4STAT6JAK2
SCHEMBL4283758 0.87 STAT6 (0.58) RPS6KA3AURKACDK4STAT6JAK2
SCHEMBL1657475 0.86 RPS6KA3 (0.55) RPS6KA3AURKACDK4STAT6PTK2
SCHEMBL1654492 0.86 RPS6KA3 (0.50) RPS6KA3AURKACDK4STAT6PTK2

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
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

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 303/4885AURKA 755/4885CDK4 186/4885

“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.