SCHEMBL2733285

SCHEMBL2733285

Cn1cc(-c2cnc3[nH]cc(-c4cn(Cc5ccccc5)nn4)c3n2)cn1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.59
KDR P35968 4/20 0.54
EPHB4 P54760 4/20 0.54
ALK Q9UM73 6/20 0.54
TEK Q02763 5/20 0.52
CCNK O75909 1/20 0.45
CDK12 Q9NYV4 1/20 0.45
CYP19A1 P11511 1/20 0.44

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
SCHEMBL10071990 0.91 ALK (0.55) MAPK1KDREPHB4ALKTEK
SCHEMBL10071992 0.89 ALK (0.59) MAPK1KDREPHB4ALKTEK
SCHEMBL10071987 0.89 MAPK1 (0.52) MAPK1KDREPHB4ALKTEK
SCHEMBL15653554 0.87 MAPK1 (0.76) MAPK1ALK
SCHEMBL10072184 0.87 ALK (0.56) MAPK1KDREPHB4ALKTEK
SCHEMBL10072182 0.85 MAPK1 (0.49) MAPK1KDREPHB4ALKTEK
SCHEMBL10072183 0.84 MAPK1 (0.50) MAPK1KDREPHB4ALKTEK
SCHEMBL2731192 0.83 MAPK1 (0.56) MAPK1ALK
SCHEMBL286188 0.83 ALK (0.75) KDREPHB4ALKTEK
SCHEMBL16969008 0.80 MAPK1 (0.86) MAPK1ALK

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 12 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 claimed
US-8865715-B2 Substituted 7-(1,2,3-Triazol-4-yl)-pyrrolo[2,3-b]pyrazines MERCK PATENT GMBH (DE) 2014-10-21 US claimed
US-20130217951-A1 7-(1,2,3-TRIAZOL-4-YL) PYRROLO [2,3-B] PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-22 US claimed
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
EP-2635581-A1 7-([1,2,3]TRIAZOL-4-YL)-PYRROLO[2,3-B]PYRAZINE DERIVATIVES Merck Patent GmbH (DE) 2013-09-11 EP 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 MAPK1 182/4885KDR 890/4885EPHB4 4695/4885

“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.