SCHEMBL5089332

SCHEMBL5089332

CCC(N)n1cnc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.46
HDAC8 Q9BY41 1/20 0.43
DNMT3A Q9Y6K1 1/20 0.42
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 4/20 0.41
TNF P01375 1/20 0.41
APAF1 O14727 1/20 0.41
HTT P42858 4/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PKM P14618 1/20 0.39
GGPS1 O95749 1/20 0.39
FDPS P14324 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL8860335 0.84 MEN1 (0.49) MEN1KMT2AHPGDHSD17B10TDP1
SCHEMBL11477213 0.83 MEN1 (0.50) MEN1KMT2AHPGDHSD17B10TDP1
SCHEMBL3867305 0.81 HPGD (0.60) MEN1KMT2AHPGDHSD17B10TDP1
SCHEMBL630931 0.80 MEN1 (0.64) MEN1KMT2AHPGDHSD17B10TDP1
SCHEMBL8871621 0.79 MEN1 (0.54) MEN1KMT2AHPGDHSD17B10TDP1
SCHEMBL14740086 0.79 HSD17B10 (0.54) MEN1KMT2AHPGDHSD17B10TDP1
SCHEMBL7855409 0.79 MEN1 (0.54) MEN1KMT2AHPGDHSD17B10TDP1
SCHEMBL21591572 0.77 HIF1A (0.39) MEN1KMT2AHPGDHSD17B10
SCHEMBL11414055 0.77 MEN1 (0.51) MEN1KMT2AHPGDHSD17B10TDP1
SCHEMBL12419714 0.77 HPGD (0.64) MEN1KMT2AHPGDHSD17B10TDP1

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 18 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
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
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 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
EP-0008653-B2 N-substituted benzimidazoles, processes for their preparation and medicines containing them C.H. BOEHRINGER SOHN (DE) 1988-05-04 EP disclosed
US-4647563-A ANTISPAMODIC AGENTS, MUSCLE RELAXANTS, ANTIALLERGENS HYPOTENSIVE AGENTS BOEHRINGER INGELHEIM KG (DE) 1987-03-03 US disclosed
US-4581367-A BRONCHOSPASMOLYTICS, ANTIALLERGENS, HYPOTENSIVE AGENTS BOEHRINGER INGELHEIM KG (DE) 1986-04-08 US disclosed
US-4378361-A BRONCHODILATOR, MUSCLE RELAXANTS, ANTIALLERGENS, AND HYPOTENSIVE AGENT BOEHRINGER INGELHEIM KG (DE) 1983-03-29 US disclosed
EP-0008653-B1 N-substituted benzimidazoles, processes for their preparation and medicines containing them C.H. BOEHRINGER SOHN (DE) 1982-06-16 EP disclosed
EP-0008653-A1 N-substituted benzimidazoles, processes for their preparation and medicines containing them C.H. BOEHRINGER SOHN (DE) 1980-03-19 EP 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 MEN1 3334/4885KMT2A 3490/4885HPGD 1619/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MEN1 3376/4885KMT2A 3652/4885HPGD 1602/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB MEN1 3376/4885KMT2A 3652/4885HPGD 1602/4885

“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.