SCHEMBL10072183

SCHEMBL10072183

Cn1cc(-c2cnc3[nH]cc(-c4cn(Cc5cccc(F)c5F)nn4)c3n2)cn1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.50
ALK Q9UM73 5/20 0.49
TEK Q02763 3/20 0.48
KDR P35968 3/20 0.48
EPHB4 P54760 2/20 0.48
MET P08581 1/20 0.39
ROCK2 O75116 1/20 0.39
PAK4 O96013 1/20 0.39
PIM1 P11309 1/20 0.39
GSK3B P49841 1/20 0.39
AURKB Q96GD4 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
SCHEMBL10072184 0.93 ALK (0.56) MAPK1ALKTEKKDREPHB4
SCHEMBL2724196 0.89 MAPK1 (0.49) MAPK1ALKTEKKDREPHB4
SCHEMBL10071987 0.86 MAPK1 (0.52) MAPK1ALKTEKKDREPHB4
SCHEMBL721547 0.84 ALK (0.67) ALKTEKKDREPHB4
SCHEMBL10071992 0.84 ALK (0.59) MAPK1ALKTEKKDREPHB4
SCHEMBL10071990 0.84 ALK (0.55) MAPK1ALKTEKKDREPHB4
SCHEMBL10072182 0.84 MAPK1 (0.49) MAPK1ALKTEKKDREPHB4
SCHEMBL2733285 0.84 MAPK1 (0.59) MAPK1ALKTEKKDREPHB4
SCHEMBL721229 0.77 ALK (0.77) ALKTEKKDREPHB4
SCHEMBL10104624 0.76 ALK (0.60) ALK

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-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-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 MAPK1 182/4885ALK 2200/4885TEK 2557/4885

“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.