SCHEMBL10071987

SCHEMBL10071987

Cn1cc(-c2cnc3[nH]cc(-c4cn(Cc5ccccc5Cl)nn4)c3n2)cn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.52
CSF1R P07333 2/20 0.46
ROCK2 O75116 1/20 0.46
PIM1 P11309 1/20 0.46
GSK3B P49841 1/20 0.46
AURKB Q96GD4 1/20 0.46
KDR P35968 3/20 0.45
EPHB4 P54760 2/20 0.45
TEK Q02763 2/20 0.45
CNR2 P34972 1/20 0.45
ALK Q9UM73 2/20 0.44
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
PDPK1 O15530 1/20 0.40

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 0.89 ALK (0.56) MAPK1ROCK2PIM1GSK3BAURKB
SCHEMBL2733285 0.89 MAPK1 (0.59) MAPK1KDREPHB4TEKALK
SCHEMBL10072182 0.87 MAPK1 (0.49) MAPK1KDREPHB4TEKALK
SCHEMBL10072183 0.86 MAPK1 (0.50) MAPK1ROCK2PIM1GSK3BAURKB
SCHEMBL720135 0.84 ALK (0.61) ALKPDPK1
SCHEMBL10071990 0.84 ALK (0.55) MAPK1ROCK2GSK3BKDREPHB4
SCHEMBL10071992 0.81 ALK (0.59) MAPK1ROCK2PIM1GSK3BAURKB
SCHEMBL15653554 0.76 MAPK1 (0.76) MAPK1ALK
SCHEMBL10104624 0.76 ALK (0.60) ALKPDPK1
SCHEMBL2724196 0.75 MAPK1 (0.49) MAPK1ROCK2PIM1GSK3BAURKB

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 182/4885CSF1R 2156/4885ROCK2 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.