SCHEMBL10071992

SCHEMBL10071992

Cn1cc(-c2cnc3[nH]cc(-c4cn(Cc5cccc(F)c5)nn4)c3n2)cn1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 14/20 0.59
MAPK1 P28482 2/20 0.50
ROCK2 O75116 1/20 0.49
PIM1 P11309 1/20 0.49
GSK3B P49841 1/20 0.49
AURKB Q96GD4 1/20 0.49
TEK Q02763 3/20 0.48
KDR P35968 2/20 0.48
EPHB4 P54760 1/20 0.48

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 0.89 ALK (0.55) ALKMAPK1ROCK2GSK3BTEK
SCHEMBL2733285 0.89 MAPK1 (0.59) ALKMAPK1TEKKDREPHB4
SCHEMBL15652636 0.89 ALK (0.73) ALKMAPK1
SCHEMBL722118 0.86 ALK (0.77) ALKTEKKDREPHB4
SCHEMBL10072183 0.84 MAPK1 (0.50) ALKMAPK1ROCK2PIM1GSK3B
SCHEMBL10072184 0.84 ALK (0.56) ALKMAPK1ROCK2PIM1GSK3B
SCHEMBL10071987 0.81 MAPK1 (0.52) ALKMAPK1ROCK2PIM1GSK3B
SCHEMBL10072182 0.79 MAPK1 (0.49) ALKMAPK1TEKKDREPHB4
SCHEMBL15652727 0.78 MAPK1 (0.67) ALKMAPK1
SCHEMBL721232 0.77 ALK (0.64) ALKTEK

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 ALK 2200/4885MAPK1 182/4885ROCK2 765/4885

“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.