SCHEMBL3611277

SCHEMBL3611277

CN(C)c1ccc(-c2cc(-c3cc(C#N)c(N4CCN(C(=O)OC(C)(C)C)CC4)[nH]3)ccn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
GPR119 Q8TDV5 3/20 0.41
TBK1 Q9UHD2 1/20 0.41
KIT P10721 3/20 0.41
RET P07949 11/20 0.41
EGLN2 Q96KS0 1/20 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
SCHEMBL3617495 0.91 KIT (0.43) NR1H2NR1H3GPR119TBK1KIT
SCHEMBL14283177 0.87 KIT (0.45) GPR119TBK1KIT
SCHEMBL3610685 0.87 KIT (0.42) NR1H2NR1H3GPR119TBK1KIT
SCHEMBL3616068 0.85 RET (0.51) RET
SCHEMBL13408083 0.84 MAPKAPK2 (0.44) NR1H2NR1H3GPR119TBK1KIT
SCHEMBL3616822 0.84 NR1H2 (0.47) NR1H2NR1H3GPR119TBK1KIT
SCHEMBL3613995 0.83 GPR119 (0.42) NR1H2NR1H3GPR119TBK1KIT
SCHEMBL3608562 0.83 RET (0.45) NR1H2NR1H3GPR119TBK1KIT
SCHEMBL3997859 0.82 KIT (0.44) NR1H2NR1H3GPR119TBK1KIT
SCHEMBL3614980 0.81 PIM1 (0.45) TBK1KIT

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-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
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 238/4885GPR119 297/4885

“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.