SCHEMBL4290779

SCHEMBL4290779

OC(O)(c1c(F)cc(-n2ccc3cnc(Nc4ccncc4)nc32)cc1F)N1CCSCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 2/20 0.46
PTK2 Q05397 5/20 0.44
AURKA O14965 2/20 0.43
CDK4 P11802 2/20 0.43
JAK2 O60674 11/20 0.41
BRD4 O60885 11/20 0.41
JAK1 P23458 1/20 0.41
BRD2 P25440 1/20 0.41
JAK3 P52333 1/20 0.41
BRD3 Q15059 1/20 0.41
BRDT Q58F21 1/20 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
SCHEMBL4284002 0.92 RPS6KA3 (0.47) RPS6KA3AURKACDK4JAK2BRD4
SCHEMBL1657537 0.91 AURKA (0.46) RPS6KA3PTK2AURKACDK4JAK2
SCHEMBL4293675 0.88 JAK2 (0.43) RPS6KA3PTK2AURKACDK4JAK2
SCHEMBL1657502 0.87 RPS6KA3 (0.45) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL4288938 0.87 RPS6KA3 (0.45) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL4290429 0.86 PTK2 (0.44) RPS6KA3PTK2AURKACDK4JAK2
SCHEMBL4288414 0.86 JAK2 (0.45) RPS6KA3PTK2AURKACDK4JAK2
SCHEMBL4283799 0.86 SYK (0.43) RPS6KA3PTK2AURKACDK4JAK2
SCHEMBL4286086 0.85 RPS6KA3 (0.44) RPS6KA3JAK2BRD4JAK1BRD2
SCHEMBL4287611 0.84 JAK2 (0.42) RPS6KA3PTK2JAK2BRD4JAK1

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 2 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 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 303/4885PTK2 175/4885AURKA 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.