SCHEMBL20030376

SCHEMBL20030376

C=C/C(=C(/CN1CCCCC1)N(C)C)c1ccc2cnc(NC(=O)c3cccc(CN4CCCC4)c3)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 19/20 0.59
GSK3B P49841 15/20 0.59
WNT1 P04628 13/20 0.59
CLK2 P49760 1/20 0.59
CLK3 P49761 1/20 0.59
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL23048633 0.92 DYRK1A (0.57) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916414 0.82 DYRK1A (0.61) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL21214535 0.79 DYRK1A (0.51) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23048703 0.77 DYRK1A (0.64) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL22597057 0.76 GSK3B (0.49) DYRK1AGSK3BWNT1
SCHEMBL19517218 0.75 GSK3B (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL19517385 0.74 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL30003768 0.74 DYRK1A (1.00) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL22461726 0.74 DYRK1A (0.62) DYRK1AGSK3BWNT1CLK2CLK3
SCHEMBL23916189 0.73 DYRK1A (0.72) DYRK1AGSK3BWNT1CLK2CLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093970-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF TENARX, INC. 2018-04-05 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-20180093970-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF WNT1, WNT3, WNT3A DYRK1A 1006/4885GSK3B 5/4885WNT1 1/4885

“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.