SCHEMBL20916079

SCHEMBL20916079

[2H]c1c(N)ncc2ccc(-c3cnn(C)c3)cc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 16/20 0.50
▸ DYRK1A Q13627 16/20 0.50
▸ WNT1 P04628 11/20 0.50
▸ PIK3CD O00329 1/20 0.48
▸ PIK3CA P42336 1/20 0.48
▸ PIK3CB P42338 1/20 0.48
▸ PI4KA P42356 1/20 0.48
▸ PIK3CG P48736 1/20 0.48
▸ PI4KB Q9UBF8 1/20 0.48
▸ CLK2 P49760 1/20 0.47
▸ CLK3 P49761 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ PIM1 P11309 1/20 0.45
▸ PIM2 Q9P1W9 1/20 0.45

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
SCHEMBL30381685 0.87 GSK3B (0.56) GSK3BDYRK1AWNT1PIK3CDPIK3CA
SCHEMBL20945222 0.87 GSK3B (0.56) GSK3BDYRK1AWNT1PIK3CDPIK3CA
SCHEMBL25424298 0.84 ABL1 (0.56) GSK3BDYRK1AWNT1PIK3CDPIK3CA
SCHEMBL30695432 0.81 GSK3B (0.47) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL25646429 0.80 GSK3B (0.57) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL31729628 0.78 DYRK1A (0.58) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL15507418 0.75 GSK3B (0.56) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL31118704 0.75 PIK3CD (0.58) GSK3BDYRK1AWNT1PIK3CDPIK3CA
SCHEMBL30481240 0.75 GSK3B (0.56) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL25603068 0.75 GSK3B (0.56) GSK3BDYRK1AWNT1CLK2CLK3

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 3 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
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

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 1/4885WNT1 7/4885
US-20190119263-A1 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, DYRK3, DYRK2 GSK3B 9/4885DYRK1A 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.

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