SCHEMBL3456534

SCHEMBL3456534

CC(C)(C)OC(=O)Nc1cc(C#N)ccn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 3/20 0.47
ATR Q13535 1/20 0.44
RIPK3 Q9Y572 1/20 0.43
RORC P51449 2/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
GRM5 P41594 4/20 0.41
CYP3A4 P08684 2/20 0.41
AAK1 Q2M2I8 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
ROCK2 O75116 1/20 0.39
NR2C2 P49116 1/20 0.39
CLK1 P49759 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
IGF1R P08069 1/20 0.39
TGFBR1 P36897 1/20 0.39
CYP17A1 P05093 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
SCHEMBL27847582 0.86 GAA (0.44) EGLN2ATRRORCGRM5AAK1
SCHEMBL25226928 0.86 ATR (0.44) EGLN2ATRGSK3BDYRK1AAAK1
SCHEMBL29272503 0.82 BRAF (0.44) EGLN2ATRRIPK3GSK3BDYRK1A
SCHEMBL25238596 0.82 GABRA5 (0.45) EGLN2ATRGSK3BDYRK1AAAK1
SCHEMBL828560 0.81 TP53 (0.51)
SCHEMBL19958489 0.81 RORC (0.49) RORCGRM5CYP3A4
SCHEMBL1192656 0.81 ATR (0.50) ATRGSK3BDYRK1AAAK1IRAK4
SCHEMBL30953487 0.81 ATR (0.50) ATRGSK3BDYRK1AAAK1IRAK4
SCHEMBL15057350 0.80 EGLN2 (0.50) EGLN2GSK3BDYRK1ACLK4
SCHEMBL1726534 0.80 ABCB1 (0.45) EGLN2RORCDYRK1AAAK1CLK4

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
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
CN-103298788-A Pyridine derivative and medicinal agent NIPPON SHINYAKU CO LTD 2013-09-11 CN disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
EP-2250165-A1 TRIAZOLE OXADIAZOLES DERIVATIVES Merck Serono S.A. (CH) 2010-11-17 EP disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 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-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES OXA1L, RO60, PDCD11 EGLN2 2540/4885ATR 111/4885RIPK3 697/4885

“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.