SCHEMBL3493309

SCHEMBL3493309

Clc1ccc(-c2nnc(-c3ccc4ncsc4c3)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.51
▸ DYRK1A Q13627 1/20 0.50
▸ NPC1 O15118 8/20 0.49
▸ RAB9A P51151 8/20 0.49
▸ TP53 P04637 5/20 0.49
▸ HSD17B10 Q99714 4/20 0.49
▸ TSHR P16473 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ KDM4E B2RXH2 5/20 0.45
▸ NOTUM Q6P988 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ NFKB1 P19838 2/20 0.44
▸ NFKB2 Q00653 2/20 0.44
▸ RELA Q04206 2/20 0.44
▸ DGAT1 O75907 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL3493900 0.87 APP (0.52) APPDYRK1ANPC1RAB9ATP53
SCHEMBL24155396 0.82 DYRK1A (0.60) APPDYRK1ANPC1RAB9AHSD17B10
SCHEMBL18716612 0.82 APP (0.48) APPDYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL12170942 0.81 NPC1 (0.62) APPDYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL3492630 0.81 APP (0.52) APPDYRK1ANPC1RAB9AHSD17B10
SCHEMBL3491891 0.79 HPGD (0.57) APPDYRK1ANPC1RAB9ATP53
SCHEMBL17716973 0.78 KDM4E (0.67) NPC1RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL593507 0.75 NPC1 (0.54) APPDYRK1ANPC1RAB9AHSD17B10
SCHEMBL14127183 0.75 NPC1 (0.54) APPDYRK1ANPC1RAB9AHSD17B10
SCHEMBL12170961 0.75 NPC1 (0.58) APPDYRK1ANPC1RAB9ATSHR

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-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 — — US claimed
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 APP 322/4885DYRK1A 965/4885NPC1 1571/4885

“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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