SCHEMBL4296908

SCHEMBL4296908

Cc1ccc(N)cc1CN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.50
VEGFA P15692 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL3400449 0.95 NR1H2 (0.49) NR1H2VEGFAEGLN1KMT2AMEN1
SCHEMBL4291723 0.90 NR1H2 (0.50) NR1H2VEGFAEGLN1KMT2AMEN1
SCHEMBL4502120 0.88 VEGFA (0.49) VEGFAEGLN1KMT2AMEN1CHRM2
SCHEMBL4298566 0.87 VEGFA (0.52) NR1H2VEGFAEGLN1KMT2AMEN1
SCHEMBL13333662 0.86 VEGFA (0.48) NR1H2VEGFAEGLN1KMT2AMEN1
SCHEMBL22172319 0.84 ALDH1A1 (0.54) NR1H2VEGFAEGLN1CHRM2CHRM4
SCHEMBL3401719 0.83 IRAK4 (0.39) NR1H2VEGFAEGLN1MAPK1ALDH1A1
SCHEMBL11889589 0.83 NR1H2 (0.46) NR1H2VEGFAEGLN1CHRM2CHRM4
SCHEMBL3400888 0.83 KMT2A (0.54) NR1H2VEGFAEGLN1KMT2AMEN1
SCHEMBL4972980 0.83 NR1H2 (0.46) NR1H2VEGFAEGLN1CHRM2CHRM4

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 NR1H2 3187/4885VEGFA 3554/4885EGLN1 1935/4885

“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.