SCHEMBL4290711

SCHEMBL4290711

CC(C)(C)OC(=O)N1CCC(n2cc(Nc3ncc4ccn(-c5cc(F)c(CN6CCOCC6)c(F)c5)c4n3)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.48
JAK2 O60674 7/20 0.48
PTK2 Q05397 1/20 0.48
RPS6KA3 P51812 1/20 0.44
JAK1 P23458 2/20 0.42
TYK2 P29597 1/20 0.42
EGFR P00533 1/20 0.42
MYLK4 Q86YV6 1/20 0.41
STK17A Q9UEE5 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCND2 P30279 1/20 0.40
CCND3 P30281 1/20 0.40
LRRK2 Q5S007 1/20 0.40
EIF2AK4 Q9P2K8 1/20 0.40
BRD4 O60885 4/20 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
SCHEMBL1655180 0.86 JAK2 (0.52) JAK3JAK2RPS6KA3JAK1TYK2
SCHEMBL1655241 0.81 RPS6KA3 (0.54) JAK3JAK2RPS6KA3JAK1TYK2
SCHEMBL1654992 0.79 EIF2AK4 (0.50) JAK3JAK2RPS6KA3JAK1TYK2
SCHEMBL1657475 0.76 RPS6KA3 (0.55) JAK3JAK2PTK2RPS6KA3JAK1
SCHEMBL1654501 0.76 RPS6KA3 (0.57) JAK3JAK2RPS6KA3TYK2EGFR
SCHEMBL1654959 0.76 RPS6KA3 (0.54) JAK3JAK2PTK2RPS6KA3JAK1
SCHEMBL4283758 0.75 STAT6 (0.58) JAK3JAK2RPS6KA3EGFRCDK4
SCHEMBL1654507 0.75 RPS6KA3 (0.56) JAK3JAK2PTK2RPS6KA3JAK1
SCHEMBL1655257 0.75 JAK3 (0.52) JAK3JAK2RPS6KA3EGFRTBK1
SCHEMBL1655295 0.75 RPS6KA3 (0.54) JAK3JAK2RPS6KA3JAK1CDK4

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 JAK3 16/4885JAK2 2/4885PTK2 175/4885

“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.