SCHEMBL20469890

SCHEMBL20469890

Cc1nnc(-c2ccc3cnc(NC(=O)CC4C[C@H]5C[C@@H]4CO5)cc3c2)s1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.67
DYRK1A Q13627 20/20 0.67
WNT1 P04628 10/20 0.67

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
SCHEMBL30004721 0.80 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19516310 0.80 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL30004626 0.80 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19515816 0.80 GSK3B (1.00) GSK3BDYRK1AWNT1
SCHEMBL19515315 0.79 GSK3B (0.71) GSK3BDYRK1AWNT1
SCHEMBL19516224 0.79 GSK3B (0.69) GSK3BDYRK1AWNT1
SCHEMBL28895330 0.78 GSK3B (0.61) GSK3BDYRK1AWNT1
SCHEMBL19515289 0.78 GSK3B (0.79) GSK3BDYRK1AWNT1
SCHEMBL22596907 0.78 GSK3B (0.79) GSK3BDYRK1AWNT1
SCHEMBL30005186 0.78 GSK3B (0.79) GSK3BDYRK1AWNT1

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-10556885-B2 Isoquinolin-3-YL carboxamides and preparation and use thereof SAMUMED, LLC (US) 2020-02-11 US disclosed
US-20180222887-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2018-08-09 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 (2 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-20180222887-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, DYRK3, DYRK1B GSK3B 10/4885DYRK1A 1/4885WNT1 7/4885
US-10556885-B2 Isoquinolin-3-YL carboxamides and preparation and use thereof DYRK1A, DYRK3, DYRK1B GSK3B 10/4885DYRK1A 1/4885WNT1 7/4885

“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.