SCHEMBL5098910

SCHEMBL5098910

CN(C)/C=C(/C(=O)c1ccc(C#N)cc1)c1ncc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 8/20 0.43
▸ CYP11B2 P19099 6/20 0.43
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ PAK4 O96013 1/20 0.35
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ NSD2 O96028 1/20 0.33

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
SCHEMBL5098916 1.00 CYP11B1 (0.43) CYP11B1CYP11B2RAB9ANPC1ALDH1A1
SCHEMBL7021346 0.83 RAB9A (0.42) RAB9ANPC1ALDH1A1MAPTNPSR1
SCHEMBL7021343 0.83 RAB9A (0.42) RAB9ANPC1ALDH1A1MAPTNPSR1
SCHEMBL5094757 0.81 RAB9A (0.42) RAB9ANPC1ALDH1A1HPGD
SCHEMBL5094753 0.81 RAB9A (0.42) RAB9ANPC1ALDH1A1HPGD
SCHEMBL6737207 0.80 CYP11B1 (0.53) CYP11B1CYP11B2RAB9AALDH1A1MAPT
SCHEMBL6737213 0.80 CYP11B1 (0.53) CYP11B1CYP11B2RAB9AALDH1A1MAPT
SCHEMBL7851656 0.72 RAB9A (0.42) RAB9ANPC1ALDH1A1TP53HPGD
SCHEMBL23832223 0.71 CYP11B1 (0.47) CYP11B1CYP11B2NPC1ALDH1A1MAPT
SCHEMBL11009980 0.71 CYP11B1 (0.47) CYP11B1CYP11B2ALDH1A1MAPTCA1

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 12 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-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
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 — — EP 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
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 — — EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 — — 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 CYP11B1 103/4885CYP11B2 337/4885RAB9A 4060/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CYP11B1 86/4885CYP11B2 301/4885RAB9A 4093/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CYP11B1 86/4885CYP11B2 301/4885RAB9A 4093/4885

“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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