SCHEMBL9908948

SCHEMBL9908948

Oc1ccc(-c2cnc3cccnc3n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.65
ACHE P22303 3/20 0.57
PIK3CG P48736 2/20 0.48
MAPK1 P28482 5/20 0.46
RIPK1 Q13546 1/20 0.46
PIK3CA P42336 4/20 0.46
MAPK8 P45983 2/20 0.46
MAPK9 P45984 2/20 0.46
MAPK10 P53779 2/20 0.46
AR P10275 1/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP19A1 P11511 1/20 0.43
AKR1B1 P15121 1/20 0.43

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
SCHEMBL9908947 0.83 BCHE (0.57) BCHEACHEMAPK1PIK3CAMAPK8
SCHEMBL23143409 0.83 BCHE (0.60) BCHEACHEMAPK1ARNPC1
SCHEMBL12986794 0.79 BCHE (0.57) BCHEACHEPIK3CGMAPK1RIPK1
SCHEMBL1160811 0.79 BCHE (1.00) BCHEMAPK1RIPK1MAPK10AR
SCHEMBL4698769 0.75 BCHE (0.54) BCHEPIK3CGMAPK1RIPK1PIK3CA
Hydrochloric Acid SCHEMBL27634368 0.75 BCHE (0.54) BCHEPIK3CGMAPK1RIPK1PIK3CA
SCHEMBL17879151 0.75 BCHE (0.49) BCHEACHEALDH1A1MAPTHPGD
SCHEMBL12986982 0.74 MAPK1 (0.52) BCHEACHEMAPK1ALDH1A1MAPT
SCHEMBL28158115 0.73 BCHE (0.65) BCHEACHEPIK3CGMAPK1RIPK1
Hydrochloric Acid SCHEMBL11604964 0.73 BCHE (0.45) BCHEACHEALDH1A1HPGDHSD17B10

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
US-8193186-B2 Pyridopyrazines and the use thereof as kinase inhibitors AETERNA ZENTARIS GMBH (DE) 2012-06-05 US disclosed
US-8193186-B2 Pyridopyrazines and the use thereof as kinase inhibitors AETERNA ZENTARIS GMBH (DE) 2012-06-05 US disclosed
US-20070275972-A1 Pyridopyrazines and the use thereof as kinase inhibitors AETERNA ZENTARIS GMBH (DE) 2007-11-29 US disclosed
US-20070275972-A1 Pyridopyrazines and the use thereof as kinase inhibitors AETERNA ZENTARIS GMBH (DE) 2007-11-29 US disclosed
US-7276507-B2 Pyridopyrazines and the use thereof as kinase inhibitors AETERNA ZENTARIS GMBH (DE) 2007-10-02 US disclosed
US-7276507-B2 Pyridopyrazines and the use thereof as kinase inhibitors AETERNA ZENTARIS GMBH (DE) 2007-10-02 US 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-20070275972-A1 Pyridopyrazines and the use thereof as kinase inhibitors MKI67, MAP4K2, MAP3K5 BCHE 4632/4885ACHE 4118/4885PIK3CG 380/4885

“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.