SCHEMBL721235

SCHEMBL721235

OCCn1cc(-c2cnc3[nH]cc(-c4cn(Cc5ccccc5)nn4)c3c2)cn1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 14/20 0.64
CCNK O75909 1/20 0.48
CDK12 Q9NYV4 1/20 0.48
PDPK1 O15530 2/20 0.46
TNIK Q9UKE5 1/20 0.46
MAPK1 P28482 1/20 0.45

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 0.88 ALK (0.75) ALKPDPK1
SCHEMBL10104585 0.88 ALK (0.62) ALKCCNKCDK12PDPK1TNIK
SCHEMBL294507 0.86 ALK (0.62) ALKPDPK1TNIK
SCHEMBL10104582 0.84 ALK (0.58) ALKCCNKCDK12PDPK1
SCHEMBL10104587 0.80 PAK1 (0.66) ALKPDPK1
SCHEMBL15562326 0.80 ALK (0.81) ALKTNIK
SCHEMBL719776 0.80 ALK (0.66) ALKPDPK1
SCHEMBL720236 0.80 ALK (0.63) ALKPDPK1
SCHEMBL15300210 0.79 ALK (0.79) ALKPDPK1
SCHEMBL721232 0.79 ALK (0.64) 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 13 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
CN-102414211-B 3- ([1,2,3] triazol-4-yl) pyrrolo [2,3-b ] pyridine derivatives MERCK PATENT GMBH 2014-06-04 CN 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
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
CN-102414211-A 3- ([1,2,3] triazol-4-yl) pyrrolo [2,3-b ] pyridine derivatives MERCK PATENT GMBH 2012-04-11 CN 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
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 2215/4885CCNK 30/4885CDK12 68/4885

“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.