SCHEMBL723216

SCHEMBL723216

Cn1cc(-c2cnc3[nH]cc(-c4cn(Cc5ccc6ncccc6c5)nn4)c3c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 14/20 0.56
MET P08581 4/20 0.54
PDPK1 O15530 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49

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
SCHEMBL286188 0.85 ALK (0.75) ALKPDPK1
SCHEMBL720236 0.84 ALK (0.63) ALKPDPK1
SCHEMBL15300164 0.84 ALK (0.56) ALKPDPK1CCNE1CDK2
SCHEMBL721232 0.84 ALK (0.64) ALKPDPK1
SCHEMBL722118 0.84 ALK (0.77) ALKPDPK1
SCHEMBL719245 0.84 ALK (0.76) ALKPDPK1
SCHEMBL720305 0.82 ALK (0.62) ALKPDPK1
SCHEMBL26175363 0.81 ALK (0.57) ALKMETPDPK1
SCHEMBL15300210 0.80 ALK (0.79) ALKMETPDPK1
SCHEMBL10104643 0.79 ALK (0.59) ALKPDPK1

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-2427461-B1 3-([1,2,3]TRIAZOL-4-YL)-PYRROLO[2,3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-10-09 EP claimed
US-8541584-B2 3-(1,2,3-triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GMBH (DE) 2013-09-24 US claimed
US-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 US claimed
EP-2427461-B1 3-([1,2,3]TRIAZOL-4-YL)-PYRROLO[2,3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-10-09 EP disclosed
EP-2427461-B1 3-([1,2,3]TRIAZOL-4-YL)-PYRROLO[2,3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-10-09 EP disclosed
US-8541584-B2 3-(1,2,3-triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GMBH (DE) 2013-09-24 US disclosed
US-8541584-B2 3-(1,2,3-triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GMBH (DE) 2013-09-24 US disclosed
WO-2013024282-A2 COMPOUNDS AND THEIR USES DOMAINEX LIMITED (GB) 2013-02-21 WO disclosed
US-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 US disclosed
US-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 US disclosed
WO-2010127754-A1 3-([1,2,3]TRIAZOLE-4-YL)-PYRROLO[2,3-B]PYRIDINE DERIVATES MERCK PATENT GMBH (DE) 2010-11-11 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-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives PDK1, PDK2, PDK3 ALK 2215/4885MET 1922/4885PDPK1 5/4885

“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.