SCHEMBL3493232

SCHEMBL3493232

Cc1nnc(-c2ccnc(Nc3cc(F)ccc3F)c2)o1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 5/20 0.47
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PIK3C3 Q8NEB9 5/20 0.38
▸ LCLAT1 Q6UWP7 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ TBK1 Q9UHD2 2/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL3492974 0.76 MAPK10 (0.46) MAPK10NPC1RAB9APIK3C3MEN1
SCHEMBL3491112 0.72 GSK3B (0.46) MAPK10NPC1RAB9ATBK1LRRK2
SCHEMBL3493182 0.71 KMT2A (0.52) NPC1RAB9AMEN1KMT2A
SCHEMBL3491183 0.71 GSK3B (0.52) NPC1RAB9APIK3C3LCLAT1
SCHEMBL3493004 0.71 THRB (0.53) NPC1RAB9ALCLAT1NOTUM
SCHEMBL3491649 0.70 GSK3B (0.48) MAPK10
SCHEMBL3491927 0.70 MAPK10 (0.42) MAPK10RAB9ATBK1LRRK2
SCHEMBL3490483 0.70 SRC (0.45) NPC1RAB9ALCLAT1NOTUM
SCHEMBL3490446 0.70 KDM4E (0.46) NPC1RAB9ANOTUMMEN1KMT2A
SCHEMBL26766195 0.69 NOTUM (0.49) NPC1RAB9ANOTUM

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 671/4885NPC1 1571/4885RAB9A 3231/4885

“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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