SCHEMBL3493576

SCHEMBL3493576

Cc1nnc(-c2ccnc(NC(=O)NCc3ccccn3)c2)o1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ TSHR P16473 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ AURKA O14965 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 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
SCHEMBL3490479 0.83 KDM4E (0.45) SMN1; SMN2RAB9ANPC1AURKAGSK3A
SCHEMBL3491183 0.78 GSK3B (0.52) SMN1; SMN2RAB9ANPC1TSHRAURKA
SCHEMBL3492922 0.78 GSK3B (0.59) MAPK1KMT2AL3MBTL1SMN1; SMN2ALOX15
SCHEMBL1268416 0.75 SMN1; SMN2 (0.61) KMT2AL3MBTL1SMN1; SMN2ALOX15RAB9A
SCHEMBL6622178 0.75 MAPK14 (0.75) KMT2ARAB9ANPC1MEN1
SCHEMBL3492974 0.75 MAPK10 (0.46) KMT2ARAB9ANPC1MEN1AURKA
SCHEMBL1269221 0.73 SMN1; SMN2 (0.63) KMT2AL3MBTL1SMN1; SMN2ALOX15RAB9A
SCHEMBL1475683 0.71 RAB9A (0.70) MAPK1KMT2AL3MBTL1SMN1; SMN2ALOX15
SCHEMBL30633337 0.71 MAPK1 (0.60) MAPK1SMN1; SMN2ALOX15RAB9ANPC1
SCHEMBL26686503 0.71 MAPK1 (0.60) MAPK1SMN1; SMN2ALOX15RAB9ANPC1

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 MAPK1 251/4885KMT2A 1247/4885L3MBTL1 1352/4885

“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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