SCHEMBL4285356

SCHEMBL4285356

CC(C)Oc1ccc(Nc2ncc3ccn(-c4ccc(C(O)(O)N5CCSCC5)c(F)c4)c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.44
CDK4 P11802 2/20 0.44
RPS6KA3 P51812 3/20 0.44
JAK2 O60674 15/20 0.43
BRD4 O60885 14/20 0.43
JAK3 P52333 2/20 0.43
JAK1 P23458 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43
SYK P43405 1/20 0.42
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

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
SCHEMBL4292642 0.91 AURKA (0.44) AURKACDK4RPS6KA3JAK2BRD4
SCHEMBL4283799 0.91 SYK (0.43) AURKACDK4RPS6KA3JAK2BRD4
SCHEMBL4283931 0.86 RPS6KA3 (0.46) RPS6KA3JAK2BRD4JAK3JAK1
SCHEMBL4291956 0.84 RPS6KA3 (0.45) RPS6KA3JAK2BRD4JAK3JAK1
SCHEMBL4284002 0.77 RPS6KA3 (0.47) AURKACDK4RPS6KA3JAK2BRD4
SCHEMBL4288414 0.77 JAK2 (0.45) AURKACDK4RPS6KA3JAK2BRD4
SCHEMBL4290779 0.76 RPS6KA3 (0.46) AURKACDK4RPS6KA3JAK2BRD4
SCHEMBL1656265 0.76 AURKA (0.53) AURKACDK4RPS6KA3JAK2BRD4
SCHEMBL1657502 0.76 RPS6KA3 (0.45) RPS6KA3JAK2BRD4JAK3JAK1
SCHEMBL4288938 0.76 RPS6KA3 (0.45) RPS6KA3JAK2BRD4JAK3JAK1

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 AURKA 755/4885CDK4 186/4885RPS6KA3 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.