SCHEMBL10072162

SCHEMBL10072162

CC(C)(C)OC(=O)n1cc(I)c2nccnc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.35
BCHE P06276 1/20 0.34
ELANE P08246 2/20 0.33
POLB P06746 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
BUB1 O43683 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
HTR6 P50406 1/20 0.31
PIK3CD O00329 2/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.31
FAAH O00519 1/20 0.31

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
SCHEMBL30491246 0.83 ELANE (0.37) GPR119BCHEELANEPOLBL3MBTL1
SCHEMBL16593587 0.81 L3MBTL1 (0.43) GPR119BCHEELANEPOLBGABRG2
SCHEMBL16593256 0.79 L3MBTL1 (0.34) GPR119BCHEPOLBGABRG2GABRB3
SCHEMBL13386031 0.79 MAPK1 (0.33) BCHEELANEGABRG2GABRB3GABRA5
SCHEMBL30934733 0.79 MAPK1 (0.33) BCHEELANEGABRG2GABRB3GABRA5
SCHEMBL27924812 0.79 ELANE (0.39) ELANE
SCHEMBL29631631 0.78 ELANE (0.55) GPR119ELANEPOLBL3MBTL1
SCHEMBL295518 0.78 ELANE (0.55) GPR119ELANEPOLBL3MBTL1
SCHEMBL16606149 0.78 POLB (0.37) GPR119BCHEPOLBGABRG2GABRB3
SCHEMBL16606153 0.77 CFTR (0.37) GPR119BCHEPOLBGABRG2GABRB3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635581-B1 7-([1,2,3]TRIAZOL-4-YL)-PYRROLO[2,3-B]PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-25 EP disclosed
US-8865715-B2 Substituted 7-(1,2,3-Triazol-4-yl)-pyrrolo[2,3-b]pyrazines MERCK PATENT GMBH (DE) 2014-10-21 US disclosed
US-8865715-B2 Substituted 7-(1,2,3-Triazol-4-yl)-pyrrolo[2,3-b]pyrazines MERCK PATENT GMBH (DE) 2014-10-21 US disclosed
US-8865715-B2 Substituted 7-(1,2,3-Triazol-4-yl)-pyrrolo[2,3-b]pyrazines MERCK PATENT GMBH (DE) 2014-10-21 US disclosed
US-20130217951-A1 7-(1,2,3-TRIAZOL-4-YL) PYRROLO [2,3-B] PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
US-20130217951-A1 7-(1,2,3-TRIAZOL-4-YL) PYRROLO [2,3-B] PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
US-20130217951-A1 7-(1,2,3-TRIAZOL-4-YL) PYRROLO [2,3-B] PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
WO-2012059171-A1 7-([1,2,3]TRIAZOL-4-YL)-PYRROLO[2,3-B]PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-05-10 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-20130217951-A1 7-(1,2,3-TRIAZOL-4-YL) PYRROLO [2,3-B] PYRAZINE DERIVATIVES PDK1, PDK2, PDK3 GPR119 683/4885BCHE 4720/4885ELANE 4479/4885

“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.