SCHEMBL5094972

SCHEMBL5094972

O=C(Cn1cnc2ccccc21)c1ccc(Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.64
▸ CA1 P00915 6/20 0.64
▸ CA2 P00918 6/20 0.64
▸ CA7 P43166 6/20 0.64
▸ CA9 Q16790 6/20 0.64
▸ CA13 Q8N1Q1 6/20 0.64
▸ CA3 P07451 3/20 0.64
▸ CA4 P22748 3/20 0.64
▸ CA6 P23280 3/20 0.64
▸ CA5A P35218 3/20 0.64
▸ CA14 Q9ULX7 3/20 0.64
▸ CA5B Q9Y2D0 3/20 0.64
▸ ALPL P05186 2/20 0.56
▸ ALPG P10696 2/20 0.56
▸ ALPI P09923 1/20 0.56
▸ PLAA Q9Y263 1/20 0.56
▸ P2RX7 Q99572 3/20 0.56
▸ NPC1 O15118 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PKM P14618 1/20 0.55

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
SCHEMBL5094283 0.79 GAA (0.70) NPC1RAB9ASMN1; SMN2GLATHRB
SCHEMBL18424833 0.78 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL5094279 0.76 ALDH1A1 (0.54) CA12CA1CA9P2RX7LMNA
SCHEMBL18825270 0.76 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL20715687 0.75 CYP11B1 (0.66) NPC1LMNAPKMRAB9ASMN1; SMN2
SCHEMBL1035783 0.74 EGLN3 (0.71) CA12CA1CA2CA7CA9
SCHEMBL5334232 0.73 ALPL (0.59) CA12CA1CA2CA7CA9
SCHEMBL18425991 0.72 CA1 (1.00) CA12CA1CA2CA7CA9
SCHEMBL22381004 0.72 CA1 (1.00) CA12CA1CA2CA7CA9
SCHEMBL25516474 0.72 CA12 (0.64) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 — — US disclosed
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 — — US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 — — US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 — — US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 — — US disclosed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 — — US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 — — EP disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 — — EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 — — WO disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 — — US disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 — — EP disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 — — US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 — — US disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 — — WO 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 (3 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CA12 4344/4885CA1 2045/4885CA2 3046/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CA12 4374/4885CA1 2163/4885CA2 3079/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CA12 4374/4885CA1 2163/4885CA2 3079/4885

“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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