SCHEMBL14976706

SCHEMBL14976706

Cc1c(I)c2cc(-c3cnn(C)c3)cnc2n1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.42
TTK P33981 3/20 0.42
GSK3B P49841 2/20 0.41
DYRK1A Q13627 2/20 0.41
GPR119 Q8TDV5 1/20 0.40
USP30 Q70CQ3 2/20 0.39
WNT1 P04628 1/20 0.39
LRRK2 Q5S007 1/20 0.38
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
YES1 P07947 1/20 0.37
MAPK1 P28482 1/20 0.37
AURKB Q96GD4 1/20 0.37
MET P08581 1/20 0.37
MST1R Q04912 1/20 0.37

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
SCHEMBL719094 0.82 GSK3B (0.43) RETTTKGSK3BDYRK1AGPR119
SCHEMBL15257727 0.81 RET (0.46) RETTTKGSK3BDYRK1AGPR119
SCHEMBL18437202 0.80 GSK3B (0.41) RETTTKGSK3BDYRK1AGPR119
SCHEMBL3804479 0.76 GSK3B (0.41) RETTTKGSK3BDYRK1AGPR119
SCHEMBL9887901 0.72 PDPK1 (0.41) METMST1R
SCHEMBL12501035 0.72 DDB1 (0.41) GPR119MAPK1
SCHEMBL13554546 0.72 RET (0.42) RETTTKGSK3BDYRK1AGPR119
SCHEMBL18534361 0.71 MET (0.36) GSK3BDYRK1AABL1NTRK1YES1
SCHEMBL15257731 0.69 FGFR2 (0.42) METMST1R
SCHEMBL12291796 0.69 MKNK1 (0.37) RETABL1MAPK1AURKBMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794602-B1 3-CYANARYL-1H-PYRAZOLO(2.3-B) PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2017-11-29 EP disclosed
EP-2794602-B1 3-CYANARYL-1H-PYRAZOLO(2.3-B) PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2017-11-29 EP disclosed
US-9102675-B2 3-Cyanoaryl-1H-pyrrolo[2,3-B] pyridine derivatives MERCK PATENT GMBH (DE) 2015-08-11 US disclosed
US-9102675-B2 3-Cyanoaryl-1H-pyrrolo[2,3-B] pyridine derivatives MERCK PATENT GMBH (DE) 2015-08-11 US disclosed
US-9102675-B2 3-Cyanoaryl-1H-pyrrolo[2,3-B] pyridine derivatives MERCK PATENT GMBH (DE) 2015-08-11 US disclosed
US-20140323481-A1 3-CYANOARYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-10-30 US disclosed
US-20140323481-A1 3-CYANOARYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-10-30 US disclosed
US-20140323481-A1 3-CYANOARYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-10-30 US disclosed
EP-2794602-A1 3-CYANARYL-1H-PYRAZOLO(2.3-B) PYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2014-10-29 EP disclosed
WO-2013075785-A1 3-CYANARYL-1H-PYRAZOLO[2.3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-05-30 WO disclosed
WO-2013075785-A1 3-CYANARYL-1H-PYRAZOLO[2.3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-05-30 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-20140323481-A1 3-CYANOARYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES TBK1, NFKBIA, IKBKG RET 1449/4885TTK 1452/4885GSK3B 114/4885

“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.