SCHEMBL4285169

SCHEMBL4285169

COc1cc(Nc2ncc3ccn(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3n2)cnc1N1C[C@@H](C)N[C@@H](C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 3/20 0.46
JAK2 O60674 2/20 0.42
BRD4 O60885 1/20 0.42
PTK2 Q05397 12/20 0.41
FGFR1 P11362 2/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
AURKA O14965 2/20 0.41
DAPK3 O43293 1/20 0.41
PAK4 O96013 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
IGF1R P08069 1/20 0.41
MET P08581 1/20 0.41
PDGFRB P09619 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
SCHEMBL4285172 1.00 RPS6KA3 (0.46) RPS6KA3JAK2BRD4PTK2FGFR1
SCHEMBL4288398 0.91 RPS6KA3 (0.47) RPS6KA3JAK2BRD4FGFR1FGFR2
SCHEMBL4288402 0.91 RPS6KA3 (0.47) RPS6KA3JAK2BRD4FGFR1FGFR2
SCHEMBL4284027 0.91 RPS6KA3 (0.47) RPS6KA3JAK2BRD4FGFR1FGFR2
SCHEMBL4284029 0.91 RPS6KA3 (0.47) RPS6KA3JAK2BRD4FGFR1FGFR2
SCHEMBL4283806 0.89 RPS6KA3 (0.46) RPS6KA3JAK2BRD4FGFR1FGFR2
SCHEMBL4295376 0.89 RPS6KA3 (0.46) RPS6KA3JAK2BRD4FGFR1FGFR2
SCHEMBL4283802 0.89 RPS6KA3 (0.46) RPS6KA3JAK2BRD4FGFR1FGFR2
SCHEMBL4295373 0.89 RPS6KA3 (0.46) RPS6KA3JAK2BRD4FGFR1FGFR2
SCHEMBL31061211 0.88 RPS6KA3 (0.53) RPS6KA3JAK2BRD4FGFR1FGFR2

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-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US claimed
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

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 303/4885JAK2 2/4885BRD4 964/4885

“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.