SCHEMBL3492974

SCHEMBL3492974

Cc1nnc(-c2ccnc(Nc3ccccn3)c2)o1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 6/20 0.46
▸ TYK2 P29597 1/20 0.45
▸ GSK3B P49841 2/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GFER P55789 1/20 0.40
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ KDR P35968 2/20 0.40
▸ ACHE P22303 3/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ DYRK1A Q13627 1/20 0.38

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
SCHEMBL3490479 0.81 KDM4E (0.45) GSK3BAURKAGSK3ANPC1RAB9A
SCHEMBL3491112 0.76 GSK3B (0.46) MAPK10GSK3BAURKAGSK3ANPC1
SCHEMBL3493182 0.76 KMT2A (0.52) MEN1KMT2AKDRNPC1RAB9A
SCHEMBL3491183 0.76 GSK3B (0.52) GSK3BAURKAGSK3APIK3C3NPC1
SCHEMBL4079482 0.76 TSHR (0.50) GSK3BAURKAGSK3AMEN1KMT2A
SCHEMBL3493232 0.76 MAPK10 (0.47) MAPK10MEN1KMT2APIK3C3NPC1
SCHEMBL3493004 0.75 THRB (0.53) AURKANPC1RAB9A
SCHEMBL3491927 0.75 MAPK10 (0.42) MAPK10GSK3BMAPK8RAB9ADYRK1A
SCHEMBL3491649 0.75 GSK3B (0.48) MAPK10GSK3B
SCHEMBL3493576 0.75 MAPK1 (0.53) GSK3BAURKAGSK3AMEN1KMT2A

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-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 — — US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 — — 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP MAPK10 671/4885TYK2 1004/4885GSK3B 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.

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