SCHEMBL18998664

SCHEMBL18998664

N#Cc1cccc(-c2ccnc(N)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.59
MAP4K4 O95819 1/20 0.52
DYRK1A Q13627 2/20 0.48
GSK3B P49841 1/20 0.48
ADORA2A P29274 2/20 0.48
ADORA1 P30542 1/20 0.48
MAOB P27338 1/20 0.47
GRM5 P41594 4/20 0.47
CDC7 O00311 1/20 0.47
CDK2 P24941 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
XDH P47989 1/20 0.46
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
SYK P43405 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
SCHEMBL29432635 0.82 DYRK1A (0.54) MAP4K4DYRK1AGSK3BCDC7CDK2
SCHEMBL3397985 0.82 DYRK1A (0.54) MAP4K4DYRK1AGSK3BCDC7CDK2
SCHEMBL9792841 0.81 CLK4 (0.61) CLK4MAP4K4MAOBGRM5GABRA1
SCHEMBL14072794 0.79 CLK4 (0.59) CLK4DYRK1AMAOBGRM5ALDH1A1
SCHEMBL5562895 0.79 CLK4 (0.59) CLK4MAP4K4MAOBGRM5ALDH1A1
SCHEMBL23809618 0.79 DYRK1A (0.45) CLK4DYRK1AGSK3BGRM5CDC7
SCHEMBL29620507 0.79 CLK4 (0.59) CLK4MAP4K4ADORA2AADORA1MAOB
SCHEMBL23228524 0.79 CLK4 (0.59) CLK4MAP4K4ADORA2AADORA1MAOB
SCHEMBL312451 0.79
SCHEMBL31294130 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370784-B2 Cyano-substituted heterocycles with activity as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2022-06-28 US disclosed
US-20210284631-A1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-09-16 US disclosed
EP-3523291-B1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2021-04-14 EP disclosed
US-10316049-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-06-11 US disclosed
WO-2017106556-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2017-06-22 WO disclosed
US-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-06-22 US disclosed
US-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-06-22 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 (4 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-20210284631-A1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 USP30, USP28, USP1 CLK4 2870/4885MAP4K4 3079/4885DYRK1A 4041/4885
US-11370784-B2 Cyano-substituted heterocycles with activity as inhibitors of USP30 USP30, USP28, USP1 CLK4 2870/4885MAP4K4 3079/4885DYRK1A 4041/4885
US-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS CLK4 1343/4885MAP4K4 311/4885DYRK1A 2043/4885
US-10316049-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS CLK4 1343/4885MAP4K4 311/4885DYRK1A 2043/4885

“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.