SCHEMBL4285303

SCHEMBL4285303

CC(C)(C)OC(=O)N1CCN(Cc2cc(N)ccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NR1H2 P55055 1/20 0.46
CCNK O75909 1/20 0.46
CDK12 Q9NYV4 1/20 0.46
POLB P06746 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
GPR119 Q8TDV5 4/20 0.44
ACHE P22303 1/20 0.43
MAP4K4 O95819 1/20 0.43
VEGFA P15692 1/20 0.42
EGLN1 Q9GZT9 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
SCHEMBL17155190 0.86 KDM5C (0.40) TBK1ALDH1A1KDM4ENR1H2CCNK
SCHEMBL15093975 0.86 CCNK (0.48) TBK1ALDH1A1KDM4ECCNKCDK12
SCHEMBL3401719 0.84 IRAK4 (0.39) TBK1ALDH1A1KDM4ENR1H2CCNK
SCHEMBL3401678 0.83 NR1H2 (0.47) NR1H2POLBGPR119ACHEMAP4K4
SCHEMBL2137893 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EPOLBCHRM2CHRM4
SCHEMBL27934400 0.81 KDM5C (0.40) ALDH1A1KDM4EPOLB
SCHEMBL18985904 0.81 TBK1 (0.62) TBK1
SCHEMBL30777918 0.81 TBK1 (0.62) TBK1
SCHEMBL3400739 0.79 POLB (0.53) NR1H2POLBGPR119ACHEMAP4K4
SCHEMBL30998101 0.79 MAP4K4 (0.56) ALDH1A1NR1H2POLBGPR119ACHE

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 3 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

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 TBK1 634/4885ALDH1A1 1389/4885KDM4E 1741/4885

“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.