SCHEMBL13557709

SCHEMBL13557709

CCNC(=O)Nc1ccc2ncc(-c3ccc(OCCCN4CCOCC4)c(CC)c3)nc2n1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 19/20 0.79
▸ PIK3CA P42336 16/20 0.79
▸ MAPK8 P45983 16/20 0.79
▸ MAPK9 P45984 16/20 0.79
▸ MAPK10 P53779 16/20 0.79

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
SCHEMBL4354680 0.92 MAPK1 (0.78) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL14506616 0.88 MAPK1 (1.00) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL5622776 0.80 MAPK1 (0.74) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL4349216 0.80 MAPK1 (0.74) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL14506621 0.79 MAPK1 (0.74) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL14506584 0.79 MAPK1 (0.72) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL14506689 0.79 MAPK1 (0.73) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL14506599 0.78 MAPK1 (0.68) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL14506605 0.77 PIK3CA (0.68) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL14506653 0.76 MAPK1 (0.75) MAPK1PIK3CAMAPK8MAPK9MAPK10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277219-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2012-11-01 — — US disclosed
US-20120277219-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2012-11-01 — — 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-20120277219-A1 NOVEL PYRIDOPYRAZINE DERIVATIVES, PROCESS OF MANUFACTURING AND USES THEREOF PNPO, PDXK, MKI67 MAPK1 460/4885PIK3CA 537/4885MAPK8 1399/4885

“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.

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