SCHEMBL13408151

SCHEMBL13408151

CC(C)(C)OC(=O)N1CCCN(c2[nH]c(-c3ccnc(Cl)c3)cc2C#N)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
KIT P10721 2/20 0.43
GPR119 Q8TDV5 3/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
TBK1 Q9UHD2 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RET P07949 8/20 0.40
EGLN2 Q96KS0 1/20 0.40
MAPK3 P27361 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL3616822 0.96 NR1H2 (0.47) NR1H2NR1H3KITGPR119TBK1
SCHEMBL14283157 0.87 KIT (0.47) KITCKS1BSKP1SKP2TBK1
SCHEMBL3604476 0.83 MAPKAPK2 (0.39) NR1H2NR1H3KITGPR119CKS1B
SCHEMBL3604480 0.83 MAPKAPK2 (0.39) NR1H2NR1H3KITGPR119CKS1B
SCHEMBL14283324 0.83 KIT (0.49) KITGPR119CKS1BSKP1SKP2
SCHEMBL3616068 0.83 RET (0.51) RET
SCHEMBL3617867 0.81 RET (0.45) CKS1BSKP1SKP2RET
SCHEMBL3618285 0.81 ROCK2 (0.40) TBK1KMT2A
SCHEMBL3611277 0.81 NR1H2 (0.45) NR1H2NR1H3KITGPR119TBK1
SCHEMBL20597942 0.80 NR1H2 (0.47) NR1H2NR1H3KITGPR119RET

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-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 NR1H2 387/4885NR1H3 238/4885KIT 871/4885

“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.