SCHEMBL20916095

SCHEMBL20916095

Cc1ncc(-c2ccc3cnc(N)cc3c2)o1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.52
▸ DYRK1A Q13627 14/20 0.52
▸ CA12 O43570 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ CA1 P00915 2/20 0.49
▸ WNT1 P04628 5/20 0.47
▸ ABL1 P00519 2/20 0.46
▸ LRRK2 Q5S007 1/20 0.46

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
SCHEMBL23740932 0.79 GSK3B (0.60) GSK3BDYRK1AWNT1
SCHEMBL17768018 0.78 CA12 (0.50) DYRK1ACA12CA2CA9CA1
SCHEMBL7893993 0.77 CA12 (0.54) CA12CA2CA9CA1LRRK2
SCHEMBL23740959 0.75 GSK3B (0.57) GSK3BDYRK1AWNT1
SCHEMBL23741091 0.74 GSK3B (0.68) GSK3BDYRK1AWNT1
SCHEMBL1360325 0.73 CA12 (0.62) CA12CA2CA9CA1LRRK2
SCHEMBL8281998 0.72 CA12 (0.51) GSK3BDYRK1ACA12CA2CA9
SCHEMBL2405220 0.72 CA12 (0.62) GSK3BDYRK1ACA12CA2CA9
SCHEMBL11147956 0.71 MAP4K4 (0.51) CA12CA2CA9CA1LRRK2
SCHEMBL557850 0.71 PDPK1 (0.57) ABL1

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-10604514-B2 6-(5-membered heteroaryl)isoquinolin-3-yl carboxamides and preparation and use thereof SAMUMED, LLC (US) 2020-03-31 — — US disclosed
US-10604514-B2 6-(5-membered heteroaryl)isoquinolin-3-yl carboxamides and preparation and use thereof SAMUMED, LLC (US) 2020-03-31 — — US disclosed
WO-2019079626-A1 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED, LLC (US) 2019-04-25 — — WO disclosed
US-20190119263-A1 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF MED-PATHWAYS II LIMITED (VG) 2019-04-25 — — US disclosed
US-20190119263-A1 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF MED-PATHWAYS II LIMITED (VG) 2019-04-25 — — US disclosed
WO-2019079626-A1 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED, LLC (US) 2019-04-25 — — 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 (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-10604514-B2 6-(5-membered heteroaryl)isoquinolin-3-yl carboxamides and preparation and use thereof DYRK1A, DYRK3, DYRK2 GSK3B 9/4885DYRK1A 1/4885CA12 3654/4885
US-20190119263-A1 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, DYRK3, DYRK2 GSK3B 9/4885DYRK1A 1/4885CA12 3654/4885

“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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